data_2llt_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 2llt _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 107.487 -1.301 . . . . 25.0 107.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.82 -39.91 93.43 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.472 0.578 . . . . 75.0 110.111 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.6 -43.84 92.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.802 0.811 . . . . 50.0 109.989 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.12 -33.36 73.34 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 121.536 -0.728 . . . . 50.0 112.053 -177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 p -71.59 -28.33 63.74 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 118.445 0.566 . . . . 25.0 109.563 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.25 90.35 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.3 mmm -71.05 -32.33 69.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.176 0.806 . . . . 50.0 113.176 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -71.53 -24.77 62.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.065 -0.717 . . . . 50.0 109.065 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.8 m -66.74 -42.25 86.52 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.112 -0.368 . . . . 25.0 110.243 170.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -33.1 72.06 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.399 -0.593 . . . . 50.0 109.399 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.2 mt -67.58 -46.63 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.298 -0.63 . . . . 50.0 109.298 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -57.87 -47.25 83.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.184 0.516 . . . . 50.0 110.291 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.66 -42.16 94.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.592 -0.731 . . . . 50.0 111.864 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.98 -43.82 98.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.484 -0.76 . . . . 50.0 109.635 176.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -71.32 -14.19 62.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.559 0.948 . . . . 50.0 113.559 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.15 67.67 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.129 -0.323 . . . . 25.0 110.129 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -109.7 -16.78 13.84 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.443 0.534 . . . . 25.0 112.443 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 N--CA 1.468 0.45 0 CA-C-O 121.556 0.693 . . . . 25.0 111.056 -177.26 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 109.163 -0.68 . . . . 50.0 109.163 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -132.85 158.96 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.479 -0.782 . . . . 50.0 109.395 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -143.24 134.1 25.39 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.08 -1.452 . . . . 50.0 107.08 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.16 147.75 52.91 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.757 -0.46 . . . . 50.0 109.757 178.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.57 -42.16 96.07 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.816 1.043 . . . . 50.0 113.816 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -30.85 71.72 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.348 0.976 . . . . 50.0 110.051 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -77.09 -25.49 52.33 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.589 -0.732 . . . . 50.0 109.815 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.57 -36.45 80.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.788 -0.57 . . . . 50.0 110.565 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -58.82 -33.73 70.72 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.694 -0.402 . . . . 50.0 110.529 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -63.47 -48.31 78.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.679 -0.489 . . . . 50.0 109.679 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 tt -59.06 -46.71 87.57 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.059 -0.719 . . . . 50.0 109.059 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.71 -32.31 73.4 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.544 -0.753 . . . . 50.0 111.829 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.48 -22.52 38.0 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 122.024 -0.422 . . . . 50.0 111.326 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.5 m -92.25 -56.25 3.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.89 -0.596 . . . . 25.0 112.054 -176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -87.93 -38.36 15.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 112.445 0.535 . . . . 50.0 112.445 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -90.68 8.14 35.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.351 0.596 . . . . 50.0 110.195 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.19 -37.5 15.94 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 115.748 1.759 . . . . 50.0 115.748 176.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.12 64.67 Favored Glycine 0 C--O 1.225 -0.452 0 C-N-CA 120.543 -0.837 . . . . 50.0 111.219 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -74.48 -27.31 60.51 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.739 -0.859 . . . . 50.0 109.152 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.24 -40.29 74.55 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.174 -0.676 . . . . 50.0 109.174 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.35 -29.18 69.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.661 0.743 . . . . 50.0 110.651 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.34 17.55 19.85 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.797 -0.638 . . . . 25.0 111.259 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.31 148.36 37.14 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.575 0.703 . . . . 50.0 110.524 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -122.78 -46.19 2.13 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.335 -0.987 . . . . 50.0 108.335 176.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -86.33 85.98 7.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.569 -0.742 . . . . 50.0 109.359 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.68 -22.94 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.052 -0.976 . . . . 50.0 110.809 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -72.91 -51.05 20.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.213 0.53 . . . . 50.0 109.679 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.43 74.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -174.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.69 -40.91 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 108.393 -0.965 . . . . 50.0 108.393 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.36 -29.54 37.92 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.065 0.46 . . . . 50.0 110.726 -176.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -33.11 67.6 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.211 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.7 t -83.29 -42.98 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.592 -0.521 . . . . 50.0 109.592 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.7 mmt -66.47 -53.69 32.5 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 112.853 0.686 . . . . 50.0 112.853 -175.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -35.31 80.01 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.715 -0.394 . . . . 50.0 110.562 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -62.35 -43.13 99.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.71 -0.396 . . . . 50.0 110.476 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.94 -23.86 48.4 Favored 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 119.168 -1.013 . . . . 50.0 110.189 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.52 -25.13 67.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.843 0.354 . . . . 25.0 111.9 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -100.2 -25.95 14.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.617 0.722 . . . . 50.0 110.289 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -97.15 17.13 17.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.607 -0.724 . . . . 50.0 110.321 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.0 -20.72 67.12 Favored Glycine 0 C--O 1.219 -0.824 0 N-CA-C 115.3 0.88 . . . . 25.0 115.3 -169.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -89.03 6.02 41.65 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 122.063 0.935 . . . . 25.0 110.455 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.19 -155.32 30.96 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 104.857 -3.297 . . . . 50.0 104.857 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -153.44 168.98 24.3 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.949 -0.736 . . . . 50.0 109.892 -175.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.6 168.82 16.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.073 -0.967 . . . . 50.0 108.995 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -121.24 -174.34 2.82 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.095 -1.816 . . . . 50.0 106.095 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -53.97 -47.98 70.79 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 113.342 0.867 . . . . 50.0 113.342 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.42 -45.39 76.75 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.935 -0.478 . . . . 50.0 110.831 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -45.17 69.9 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.25 1.024 . . . . 50.0 109.101 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.8 -40.32 79.63 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.606 -1.179 . . . . 50.0 110.265 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.12 -36.85 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 122.26 -0.275 . . . . 50.0 111.011 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.29 -45.84 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 109.266 -0.642 . . . . 50.0 109.266 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.3 mt -70.0 -37.94 75.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.015 -0.539 . . . . 50.0 110.963 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.1 t -62.09 -44.94 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.479 -0.563 . . . . 50.0 109.479 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.49 -36.96 85.43 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.103 -0.373 . . . . 25.0 110.861 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.45 95.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.162 0.506 . . . . 25.0 110.467 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.92 -36.21 79.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.315 0.578 . . . . 50.0 109.743 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.4 m -61.08 -44.92 96.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.169 -0.468 . . . . 25.0 111.083 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.4 m -71.78 -28.44 30.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 120.879 -1.138 . . . . 50.0 111.914 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.252 0.548 . . . . 25.0 110.862 175.062 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -63.24 -42.77 99.24 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.885 -0.509 . . . . 75.0 109.792 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.64 -43.54 89.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.762 0.791 . . . . 50.0 109.941 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.49 -32.92 73.24 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.346 -0.846 . . . . 50.0 112.073 -175.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.9 p -73.4 -30.11 63.04 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.82 84.56 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 173.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.3 mmm -70.6 -32.35 69.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.534 0.938 . . . . 50.0 113.534 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.99 -25.69 62.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.67 -0.644 . . . . 50.0 109.326 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -65.03 -42.13 94.62 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 122.143 -0.348 . . . . 25.0 110.105 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.52 -32.89 73.9 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.452 -0.573 . . . . 50.0 109.452 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -68.35 -47.41 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 109.147 -0.686 . . . . 50.0 109.147 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.86 -49.64 76.98 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.25 0.548 . . . . 75.0 110.837 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 p -72.76 -29.81 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 115.843 -0.617 . . . . 50.0 112.517 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.34 -45.13 95.68 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.885 -1.135 . . . . 50.0 108.978 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -66.54 -19.82 65.87 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.472 -0.786 . . . . 50.0 112.119 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.84 -28.22 69.4 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.749 -0.594 . . . . 25.0 112.293 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -116.99 0.25 12.36 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.68 0.252 . . . . 25.0 111.68 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.6 p -75.19 170.98 14.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.024 0.75 . . . . 25.0 113.024 -174.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.35 0 N-CA-C 116.745 1.458 . . . . 25.0 116.745 173.63 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? . . . . . 0 C--O 1.232 0.172 0 N-CA-C 109.648 -0.501 . . . . 50.0 109.648 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 tp -151.58 138.93 19.4 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 106.453 -1.684 . . . . 50.0 106.453 176.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.15 148.03 51.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.999 0.818 . . . . 50.0 109.676 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -59.41 -43.56 92.99 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.539 1.311 . . . . 50.0 114.539 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -30.11 70.98 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.25 0.932 . . . . 50.0 110.263 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -77.92 -24.4 48.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.367 -0.833 . . . . 50.0 109.529 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 24.8 tp -69.2 -36.11 76.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.91 0.386 . . . . 50.0 110.416 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -57.0 -34.31 68.01 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.458 -0.337 . . . . 50.0 110.945 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.56 -48.81 79.28 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.902 -0.407 . . . . 50.0 109.902 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.33 -45.6 90.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.658 0.742 . . . . 50.0 109.161 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.93 -30.12 70.65 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 115.919 -0.582 . . . . 50.0 111.762 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -81.85 -22.46 36.96 Favored 'General case' 0 C--N 1.316 -0.889 0 O-C-N 121.499 -0.751 . . . . 50.0 110.566 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.4 m -88.85 -56.4 3.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.772 -0.649 . . . . 25.0 111.184 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -92.53 -31.83 15.07 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.844 1.053 . . . . 50.0 113.844 -174.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 tp -95.13 9.57 39.11 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.998 -0.742 . . . . 50.0 108.998 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.3 t -48.36 -37.15 16.02 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.526 1.676 . . . . 50.0 115.526 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.61 -34.24 57.1 Favored Glycine 0 C--O 1.225 -0.438 0 C-N-CA 120.482 -0.866 . . . . 50.0 111.222 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -73.45 -29.45 62.55 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.704 -0.85 . . . . 50.0 108.704 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.78 -39.09 80.36 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.488 -0.56 . . . . 50.0 109.488 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.93 -30.06 69.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.463 0.649 . . . . 50.0 111.689 177.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.3 18.88 14.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.099 -0.501 . . . . 25.0 111.34 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -61.32 149.25 38.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.532 0.682 . . . . 50.0 110.959 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -127.35 -46.7 1.47 Allowed 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.331 -0.618 . . . . 50.0 109.331 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -83.76 85.85 7.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 176.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.49 -27.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.544 -0.753 . . . . 50.0 110.445 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.17 -40.14 74.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.311 0.577 . . . . 50.0 109.465 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.93 -36.83 41.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 25.0 112.217 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.4 p -64.98 -40.13 88.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.178 -1.045 . . . . 50.0 108.178 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -80.3 -27.74 38.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.94 -0.573 . . . . 50.0 111.231 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.67 -32.69 65.66 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.764 -0.458 . . . . 25.0 109.764 176.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.6 -45.7 18.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.539 -0.464 . . . . 50.0 110.391 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.6 mmt -67.54 -49.95 60.92 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 113.26 0.837 . . . . 50.0 113.26 -174.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -36.31 83.61 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.785 -0.366 . . . . 50.0 110.026 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.74 -43.03 94.66 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.972 -0.291 . . . . 50.0 110.832 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.31 -24.32 54.35 Favored 'General case' 0 C--O 1.201 -1.463 0 C-N-CA 119.343 -0.943 . . . . 50.0 109.157 -176.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.3 -22.4 66.94 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.863 -0.523 . . . . 25.0 112.225 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -103.55 -23.41 13.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.352 0.596 . . . . 50.0 110.91 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -97.68 13.38 30.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.622 0.725 . . . . 50.0 110.378 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.7 -17.34 69.0 Favored Glycine 0 C--O 1.219 -0.793 0 N-CA-C 116.491 1.357 . . . . 25.0 116.491 -167.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -89.71 3.0 54.11 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.593 0.711 . . . . 25.0 110.461 -172.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.43 -155.93 30.25 Favored Glycine 0 N--CA 1.419 -2.444 0 N-CA-C 104.989 -3.245 . . . . 50.0 104.989 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.63 166.44 31.22 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 122.237 -0.566 . . . . 50.0 110.131 -173.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.07 171.22 17.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.139 -0.937 . . . . 50.0 108.841 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -126.38 -174.0 3.01 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 105.162 -2.162 . . . . 50.0 105.162 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -53.16 -47.95 68.36 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 112.915 0.709 . . . . 50.0 112.915 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.17 -45.74 75.77 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.174 0.443 . . . . 50.0 111.272 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -47.32 65.3 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 122.319 1.056 . . . . 50.0 108.589 -175.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -40.11 81.83 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.661 -1.154 . . . . 50.0 110.857 -176.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.37 -36.93 63.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 O-C-N 122.306 -0.246 . . . . 50.0 111.066 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.62 -43.58 95.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.609 -0.515 . . . . 50.0 109.609 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.5 mt -69.36 -37.56 77.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.99 0.424 . . . . 50.0 110.803 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.4 -43.86 98.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.401 -0.592 . . . . 50.0 109.401 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.07 81.8 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.072 -0.393 . . . . 25.0 111.308 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.9 97.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.13 0.49 . . . . 25.0 110.213 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -35.97 77.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.244 0.545 . . . . 50.0 109.665 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 82.2 m -59.71 -44.97 93.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.275 -0.421 . . . . 25.0 111.003 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 29.3 m -72.44 -30.31 34.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 120.89 -1.131 . . . . 50.0 111.958 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.325 0 CA-C-O 121.219 0.533 . . . . 25.0 111.328 176.053 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--O 1.239 0.528 0 N-CA-C 106.889 -1.523 . . . . 25.0 106.889 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.13 -35.83 81.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.23 0.538 . . . . 75.0 110.108 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.73 -43.02 94.74 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 121.876 0.846 . . . . 50.0 109.604 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.86 -33.95 75.75 Favored 'General case' 0 C--N 1.314 -0.939 0 O-C-N 121.339 -0.85 . . . . 50.0 111.561 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 p -73.41 -27.15 61.29 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.377 -0.529 . . . . 25.0 110.041 174.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.31 94.58 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 175.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.9 mmm -70.76 -33.94 71.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.126 0.787 . . . . 50.0 113.126 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.78 -27.92 66.32 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.043 -0.725 . . . . 50.0 109.043 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.4 m -64.89 -42.71 94.57 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.182 -0.324 . . . . 25.0 110.454 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.58 -34.83 74.76 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.476 -0.565 . . . . 50.0 109.476 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -67.03 -46.54 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.564 -0.532 . . . . 50.0 109.564 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.42 -47.34 84.24 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.549 0.69 . . . . 50.0 110.82 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.5 t -63.69 -43.85 98.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.279 -0.873 . . . . 50.0 111.489 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -60.8 -44.47 96.82 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.643 -0.661 . . . . 50.0 109.423 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -66.22 -18.47 65.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.583 -0.735 . . . . 50.0 112.909 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.46 -42.65 74.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.696 -0.628 . . . . 25.0 111.102 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -95.96 -15.84 22.08 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.725 0.639 . . . . 25.0 112.725 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -175.808 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 108.36 -0.978 . . . . 50.0 108.36 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -131.31 155.27 47.49 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.75 -0.659 . . . . 50.0 110.224 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 tp -145.31 134.07 22.29 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.639 -1.615 . . . . 50.0 106.639 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 1.9 m -66.73 146.55 54.34 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 118.725 0.693 . . . . 50.0 109.658 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.09 -51.95 66.03 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.726 1.01 . . . . 50.0 113.726 -174.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -31.37 66.09 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.737 0.643 . . . . 50.0 112.737 176.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -79.0 -23.38 44.42 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.226 0.536 . . . . 50.0 110.601 -178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.88 -31.06 71.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.56 0.695 . . . . 50.0 109.985 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -60.79 -31.52 70.88 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.806 -0.633 . . . . 50.0 110.394 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.87 -47.11 84.74 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.027 -0.731 . . . . 50.0 109.027 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.41 -45.75 93.0 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.469 -0.567 . . . . 50.0 109.469 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.04 -27.79 69.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.602 0.715 . . . . 50.0 111.223 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -81.86 -22.51 36.9 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 123.214 0.605 . . . . 50.0 111.487 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 m -100.31 -60.66 1.49 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -88.13 -18.18 29.37 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.929 0.714 . . . . 50.0 112.929 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.9 tp -111.95 9.82 20.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.741 -0.663 . . . . 50.0 109.337 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.24 -38.02 38.51 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 115.178 1.547 . . . . 50.0 115.178 177.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.18 -29.27 72.16 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 120.882 -0.675 . . . . 50.0 112.083 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -79.78 -28.35 40.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.684 -0.892 . . . . 50.0 108.914 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.15 -39.81 82.54 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.866 -0.79 . . . . 50.0 108.866 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.07 -31.65 69.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.538 0.685 . . . . 50.0 111.519 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.15 18.76 7.67 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 116.355 -0.384 . . . . 25.0 110.312 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -61.53 156.22 20.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.031 0.443 . . . . 50.0 110.076 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -138.26 -45.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.54 -0.911 . . . . 50.0 108.54 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -80.89 88.84 5.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.126 -0.943 . . . . 50.0 108.558 175.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -67.25 -25.41 33.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.922 -0.581 . . . . 50.0 110.466 -176.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.55 -43.77 46.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.292 -0.633 . . . . 50.0 109.292 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.66 -38.21 62.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.37 -39.7 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.136 -1.061 . . . . 50.0 108.136 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -80.36 -28.95 37.91 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 116.093 -0.503 . . . . 50.0 111.352 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -36.25 69.46 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.92 -43.92 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.636 0.731 . . . . 50.0 109.455 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.9 mmt -67.99 -51.39 47.86 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.749 -0.66 . . . . 50.0 112.267 -175.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -37.53 87.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.127 -0.323 . . . . 50.0 110.127 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -60.78 -42.91 98.45 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.761 -0.376 . . . . 50.0 110.491 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.85 -24.01 44.62 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 118.749 -1.18 . . . . 50.0 110.457 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.9 -25.27 65.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.937 0.399 . . . . 25.0 110.877 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -93.58 -26.95 16.89 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.789 0.804 . . . . 50.0 109.014 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -95.39 17.85 13.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.17 -0.923 . . . . 50.0 109.049 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.63 29.1 1.77 Allowed Glycine 0 C--O 1.214 -1.108 0 CA-C-N 115.782 -0.644 . . . . 25.0 114.432 -173.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -116.01 -16.24 11.09 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 112.746 0.647 . . . . 25.0 112.746 168.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.79 -150.45 21.79 Favored Glycine 0 N--CA 1.441 -0.97 0 N-CA-C 110.566 -1.014 . . . . 50.0 110.566 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -149.31 168.21 23.95 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.926 -0.637 . . . . 50.0 110.836 -171.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.85 171.09 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.437 -0.802 . . . . 50.0 109.147 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -126.62 -174.14 3.05 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 105.248 -2.13 . . . . 50.0 105.248 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -53.29 -48.62 68.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.696 0.999 . . . . 50.0 113.696 176.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -56.37 -45.3 80.56 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.582 0.628 . . . . 50.0 110.997 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.25 -45.13 74.02 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 122.351 1.072 . . . . 50.0 108.845 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -39.67 84.76 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.803 -1.09 . . . . 50.0 110.61 -177.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.2 t -71.51 -36.18 59.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 122.231 -0.293 . . . . 50.0 110.654 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.5 t -58.4 -46.14 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.391 0.615 . . . . 50.0 109.507 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.32 -35.91 71.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.036 -0.529 . . . . 50.0 111.138 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 t -63.67 -43.74 98.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.454 -0.572 . . . . 50.0 109.454 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.22 -37.63 87.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.174 -0.329 . . . . 25.0 110.139 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.69 98.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 25.0 110.76 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.97 -35.13 74.21 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.366 0.603 . . . . 50.0 110.065 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -61.69 -45.7 92.88 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 122.117 -0.364 . . . . 25.0 111.211 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.9 m -68.55 -22.47 27.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.946 0 N-CA-C 113.223 0.823 . . . . 50.0 113.223 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.001 0 CA-C-N 119.382 0.992 . . . . 25.0 112.716 174.863 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.6 -40.65 88.21 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.207 0.527 . . . . 75.0 111.63 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.81 -41.69 91.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.898 0.856 . . . . 50.0 109.965 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -65.3 -36.33 83.75 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.623 -0.673 . . . . 50.0 110.924 -176.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.6 p -72.59 -28.7 62.95 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.405 -0.518 . . . . 25.0 110.694 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.69 -44.97 92.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.893 -1.151 . . . . 25.0 107.893 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -71.6 -32.84 68.47 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.088 0.773 . . . . 50.0 113.088 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -68.39 -28.52 67.18 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.39 -0.819 . . . . 50.0 108.91 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.1 m -63.59 -44.43 94.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.777 0.322 . . . . 25.0 110.39 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.85 -35.79 77.47 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 109.354 -0.61 . . . . 50.0 109.354 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.6 -46.91 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 109.454 -0.573 . . . . 50.0 109.454 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -58.93 -44.69 91.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 75.0 111.417 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -66.84 -43.4 89.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.726 -0.67 . . . . 50.0 110.981 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.88 -44.83 96.55 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.235 -0.654 . . . . 50.0 109.235 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -66.46 -18.91 65.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.052 0.76 . . . . 50.0 113.052 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.19 -47.28 74.44 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 122.025 -0.422 . . . . 25.0 110.95 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -92.91 -16.86 24.7 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 90.1 p -62.0 165.6 5.39 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.327 0 C-N-CA 120.452 -0.88 . . . . 25.0 114.425 177.457 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm . . . . . 0 CA--C 1.513 -0.476 0 CA-C-O 121.195 0.521 . . . . 50.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -141.12 131.56 25.27 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 106.01 -1.848 . . . . 50.0 106.01 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.505 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 5.0 m -65.51 145.25 56.34 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.244 -0.582 . . . . 50.0 110.22 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -54.69 -51.12 66.54 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.025 0.75 . . . . 50.0 113.025 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -31.28 68.59 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 112.96 0.726 . . . . 50.0 112.96 176.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -78.38 -23.53 46.77 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 121.398 0.618 . . . . 50.0 110.196 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.22 -31.73 73.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.862 -0.524 . . . . 50.0 110.134 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -60.58 -33.06 72.16 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.128 -0.487 . . . . 50.0 110.48 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.5 -47.86 74.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.031 -0.729 . . . . 50.0 109.031 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.1 -46.21 90.35 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 109.161 -0.681 . . . . 50.0 109.161 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.1 mt -62.7 -30.24 71.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.024 -0.535 . . . . 50.0 111.624 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -81.91 -22.37 36.83 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 122.807 0.443 . . . . 50.0 111.488 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 36.7 m -94.53 -52.28 4.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.771 -0.649 . . . . 25.0 112.3 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -94.39 -25.85 16.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.079 0.77 . . . . 50.0 113.079 -174.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 tp -104.72 12.03 33.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.452 -0.944 . . . . 50.0 108.452 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -40.54 30.85 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.59 1.7 . . . . 50.0 115.59 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.63 -34.57 62.95 Favored Glycine 0 C--O 1.229 -0.181 0 C-N-CA 120.426 -0.892 . . . . 50.0 110.896 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -70.82 -31.07 67.68 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.716 -0.873 . . . . 50.0 109.387 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 mt -68.72 -39.77 80.25 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 110.032 -0.358 . . . . 50.0 110.032 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.33 -36.04 81.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.651 0.738 . . . . 50.0 111.287 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.19 28.64 3.52 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.302 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -64.67 159.55 21.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.755 -0.461 . . . . 50.0 109.755 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -132.6 -47.94 0.89 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.543 -0.54 . . . . 50.0 109.543 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -84.84 92.26 8.21 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.524 -0.547 . . . . 50.0 109.524 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -67.1 -22.16 28.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.493 -0.776 . . . . 50.0 112.363 -176.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -79.07 -50.0 11.76 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.725 . . . . 50.0 109.044 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.19 85.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.682 -0.235 . . . . 25.0 111.502 -175.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -63.74 -41.76 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.316 -0.624 . . . . 50.0 109.316 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.64 -31.31 36.53 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 120.956 0.407 . . . . 50.0 111.131 -174.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -57.9 -42.1 84.0 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 116.372 -0.377 . . . . 25.0 110.351 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 82.9 t -66.41 -40.95 87.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.762 -0.829 . . . . 50.0 108.762 -177.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.0 mmt -67.9 -49.04 64.24 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 115.817 -0.628 . . . . 50.0 112.187 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -37.97 87.94 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 121.087 -0.245 . . . . 50.0 110.561 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -61.66 -41.15 97.14 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.149 -0.315 . . . . 50.0 110.149 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.73 -23.45 45.45 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 118.927 -1.109 . . . . 50.0 110.584 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.68 -25.53 66.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.894 0.378 . . . . 25.0 110.993 -176.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -97.38 -24.64 15.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.66 0.743 . . . . 50.0 109.683 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -95.55 17.94 13.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.435 -0.802 . . . . 50.0 108.854 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.26 36.26 1.75 Allowed Glycine 0 C--O 1.22 -0.78 0 CA-C-N 115.991 -0.55 . . . . 25.0 114.116 -174.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -115.85 -29.93 6.24 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 122.647 -0.325 . . . . 25.0 111.285 175.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.53 -150.35 13.71 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-O 122.385 0.992 . . . . 50.0 112.007 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -146.67 165.09 30.61 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.177 -1.012 . . . . 50.0 110.149 -171.752 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.34 168.45 24.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.422 -0.955 . . . . 50.0 108.422 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.93 -174.13 2.7 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 106.056 -1.831 . . . . 50.0 106.056 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -52.76 -47.53 67.4 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 113.127 0.788 . . . . 50.0 113.127 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -55.0 -47.3 74.84 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.938 -0.476 . . . . 50.0 111.34 -177.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.07 -44.8 71.82 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.972 0.892 . . . . 50.0 109.124 -174.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -40.16 84.17 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.14 -0.936 . . . . 50.0 111.202 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.94 -36.23 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.275 -0.265 . . . . 50.0 110.673 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.81 -43.52 95.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.719 -0.475 . . . . 50.0 109.719 177.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.51 -35.93 73.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.052 0.454 . . . . 50.0 110.792 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.4 t -63.03 -43.53 99.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.279 -0.638 . . . . 50.0 109.279 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.67 83.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.065 -0.397 . . . . 25.0 110.759 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.46 97.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.126 0.488 . . . . 25.0 110.312 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.08 -34.26 72.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.378 0.609 . . . . 50.0 109.921 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 54.6 m -63.88 -43.62 95.5 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.056 -0.403 . . . . 25.0 111.056 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -71.25 -23.54 23.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 O-C-N 121.514 -0.741 . . . . 50.0 111.844 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.875 0 O-C-N 121.362 -0.836 . . . . 25.0 111.094 171.291 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.54 -44.07 96.51 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.384 0.538 . . . . 75.0 110.911 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 tt -65.0 -40.83 95.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.727 0.775 . . . . 50.0 109.853 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.58 -34.55 74.31 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.566 -0.708 . . . . 50.0 111.947 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 p -71.86 -28.46 63.56 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 118.629 0.65 . . . . 25.0 109.507 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.04 87.18 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.464 -1.31 . . . . 25.0 107.464 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.1 mmm -71.33 -32.97 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.648 0.981 . . . . 50.0 113.648 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -69.89 -26.62 64.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.9 -0.778 . . . . 50.0 108.9 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 m -65.04 -43.5 92.15 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.61 -0.268 . . . . 25.0 110.59 171.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.27 -35.89 74.54 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.122 -0.696 . . . . 50.0 109.122 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.4 mt -65.6 -47.1 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.712 -0.477 . . . . 50.0 109.712 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -58.7 -45.93 88.43 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.47 0.652 . . . . 50.0 111.113 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.49 -44.2 96.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.367 -0.833 . . . . 50.0 111.326 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.96 -42.99 99.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.444 0.64 . . . . 50.0 109.496 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -64.86 -19.43 65.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.499 -0.773 . . . . 50.0 112.624 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -49.85 68.59 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -91.88 -18.24 24.07 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.9 p . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 113.556 0.947 . . . . 25.0 113.556 -175.565 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 109.614 -0.513 . . . . 50.0 109.614 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -128.43 145.02 51.22 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.325 -0.398 . . . . 50.0 112.045 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -141.31 136.0 31.13 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 108.671 -0.863 . . . . 50.0 108.671 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.14 145.31 53.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 118.201 0.455 . . . . 50.0 110.353 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -58.09 -44.99 87.9 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.524 0.935 . . . . 50.0 113.524 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -23.01 65.97 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.404 -0.81 . . . . 50.0 110.255 -178.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -86.26 -24.64 25.9 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 121.821 0.82 . . . . 50.0 109.225 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.0 tp -66.24 -37.91 86.63 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.494 -0.754 . . . . 50.0 109.688 170.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -56.91 -34.28 67.78 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 122.074 -0.391 . . . . 50.0 110.902 177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -63.43 -49.0 75.45 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.588 -0.523 . . . . 50.0 109.588 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.89 -45.22 90.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.449 0.642 . . . . 50.0 109.563 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.71 -31.33 72.47 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.848 -0.615 . . . . 50.0 111.712 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -81.75 -22.39 37.28 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 122.935 0.494 . . . . 50.0 110.693 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.7 m -91.79 -50.59 5.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.782 -0.645 . . . . 25.0 112.315 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -91.18 -45.05 8.87 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.086 0.47 . . . . 50.0 112.159 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 tp -85.01 9.75 13.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.649 0.738 . . . . 50.0 109.564 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -39.52 18.66 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 115.46 1.652 . . . . 50.0 115.46 174.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.99 -35.57 64.72 Favored Glycine 0 N--CA 1.458 0.135 0 C-N-CA 120.267 -0.968 . . . . 50.0 111.061 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -69.53 -32.89 72.0 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.531 -0.914 . . . . 50.0 108.531 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -69.88 -40.67 75.54 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 120.551 0.215 . . . . 50.0 111.196 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.54 -35.97 82.43 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.741 0.781 . . . . 50.0 110.74 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.1 29.95 4.02 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.689 -0.687 . . . . 25.0 110.218 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -62.59 152.49 34.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.524 -0.917 . . . . 50.0 108.524 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -129.53 -53.33 1.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.803 0.335 . . . . 50.0 110.645 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.95 84.51 6.92 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.699 -1.223 . . . . 50.0 107.699 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.3 m -64.09 -28.71 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.685 -0.689 . . . . 50.0 112.415 -173.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.76 -38.7 83.8 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.281 -0.637 . . . . 50.0 109.281 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.98 -39.03 43.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.981 -0.554 . . . . 25.0 112.234 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.94 -39.62 86.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.689 -0.856 . . . . 50.0 108.689 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -80.37 -29.83 37.89 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.316 -176.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.25 -36.16 70.6 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 121.056 -0.258 . . . . 25.0 110.359 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -77.52 -42.7 30.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.434 0.635 . . . . 50.0 109.499 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.1 mmt -68.1 -51.36 47.25 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 112.721 0.637 . . . . 50.0 112.721 -175.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -35.62 80.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.745 -0.382 . . . . 50.0 110.207 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.74 -42.69 99.79 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.656 -0.418 . . . . 50.0 110.676 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.67 -23.64 45.56 Favored 'General case' 0 C--O 1.204 -1.341 0 C-N-CA 118.913 -1.115 . . . . 50.0 110.357 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.34 -26.13 67.6 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 122.005 -0.434 . . . . 25.0 112.142 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -102.16 -23.23 14.07 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.549 0.69 . . . . 50.0 110.673 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -96.52 14.15 25.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.806 0.812 . . . . 50.0 109.224 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.71 -19.84 67.63 Favored Glycine 0 C--O 1.218 -0.878 0 N-CA-C 116.705 1.442 . . . . 25.0 116.705 -167.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -89.94 1.76 55.87 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.388 0.614 . . . . 25.0 110.552 -172.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.67 -152.83 24.22 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 104.831 -3.308 . . . . 50.0 104.831 173.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.05 170.98 19.11 Favored 'General case' 0 C--N 1.311 -1.07 0 O-C-N 121.945 -0.738 . . . . 50.0 110.647 -172.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -139.61 168.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.198 -0.91 . . . . 50.0 109.456 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -122.77 -174.36 2.91 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.936 -1.876 . . . . 50.0 105.936 174.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -54.75 -48.89 72.02 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.664 0.987 . . . . 50.0 113.664 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -55.18 -44.03 74.88 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.352 0.524 . . . . 50.0 110.575 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -47.66 67.4 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 122.245 1.021 . . . . 50.0 108.757 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -39.33 79.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.641 -1.163 . . . . 50.0 111.125 -175.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.84 -36.39 58.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 121.077 -0.249 . . . . 50.0 110.966 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.0 t -61.73 -43.17 96.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.551 -0.536 . . . . 50.0 109.551 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.1 mt -68.66 -37.31 79.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.167 0.508 . . . . 50.0 110.632 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 t -62.82 -44.71 99.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 116.133 -0.485 . . . . 50.0 109.749 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.23 82.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.027 -0.42 . . . . 25.0 111.239 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.24 97.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.341 0.591 . . . . 25.0 110.324 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -35.51 75.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.43 0.633 . . . . 50.0 110.019 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.7 m -64.08 -41.08 97.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.196 -0.456 . . . . 25.0 111.881 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.6 m -71.51 -24.22 23.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 121.09 -1.006 . . . . 50.0 112.097 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.681 0 CA-C-O 122.088 0.947 . . . . 25.0 111.464 171.763 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.1 -43.68 95.37 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.551 0.614 . . . . 75.0 111.281 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.16 -40.4 94.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.943 0.878 . . . . 50.0 109.327 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -68.05 -36.22 79.53 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 121.682 -0.636 . . . . 50.0 111.508 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.0 p -72.17 -28.76 63.43 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.432 -0.507 . . . . 25.0 109.701 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.6 -47.88 81.86 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.463 -1.31 . . . . 25.0 107.463 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.58 -32.95 70.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.907 1.077 . . . . 50.0 113.907 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.79 -27.66 66.07 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.043 -0.725 . . . . 50.0 109.043 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -64.91 -43.26 93.41 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.234 -0.292 . . . . 25.0 110.598 171.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.44 -37.03 82.07 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.927 -0.768 . . . . 50.0 108.927 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.03 -47.46 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.242 -0.651 . . . . 50.0 109.242 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.34 -51.74 68.17 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.283 0.563 . . . . 75.0 111.188 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.7 p -67.94 -37.24 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 115.664 -0.698 . . . . 50.0 112.027 -175.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.34 -47.19 85.33 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.099 -1.001 . . . . 50.0 110.219 173.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -60.4 -28.02 67.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.512 -0.767 . . . . 50.0 112.32 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.66 95.9 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.735 0.642 . . . . 25.0 112.735 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -93.25 -20.86 20.01 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.767 0.317 . . . . 25.0 111.292 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -65.34 158.3 26.84 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.073 0.768 . . . . 25.0 113.073 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.579 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.16 178.67 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 121.314 0.578 . . . . 50.0 110.25 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -140.85 135.64 31.57 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 108.075 -1.083 . . . . 50.0 108.075 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.96 150.21 49.01 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.174 -0.61 . . . . 50.0 109.595 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -60.81 -43.52 98.07 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.542 0.941 . . . . 50.0 113.542 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -29.13 69.95 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.512 -0.743 . . . . 50.0 110.599 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -77.08 -24.68 51.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.405 -0.816 . . . . 50.0 108.878 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 tp -71.63 -36.85 70.88 Favored 'General case' 0 CA--C 1.513 -0.461 0 O-C-N 121.879 -0.513 . . . . 50.0 110.285 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -56.2 -33.68 65.55 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 120.767 -0.373 . . . . 50.0 110.902 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.66 -50.21 72.09 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.864 -0.421 . . . . 50.0 109.864 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.31 -45.02 92.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.784 0.802 . . . . 50.0 109.227 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.41 -32.04 73.37 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.339 -0.846 . . . . 50.0 111.592 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -81.68 -22.76 37.25 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 121.893 -0.504 . . . . 50.0 110.832 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.3 m -89.34 -50.44 6.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.765 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -95.43 -42.02 8.69 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 112.962 0.727 . . . . 50.0 112.962 -176.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 tp -85.65 9.17 16.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.715 0.769 . . . . 50.0 109.512 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.03 -36.35 17.78 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 115.144 1.535 . . . . 50.0 115.144 173.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.87 -39.33 75.71 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 110.875 -0.89 . . . . 50.0 110.875 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -70.45 -25.46 63.2 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.996 -0.708 . . . . 50.0 109.201 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -74.2 -39.87 62.86 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 122.149 -0.344 . . . . 50.0 110.35 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.02 -35.55 76.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.639 0.733 . . . . 50.0 110.945 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.82 28.32 3.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.806 -0.633 . . . . 25.0 110.305 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -62.94 152.24 37.14 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.372 0.606 . . . . 50.0 110.37 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -131.77 -48.58 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 50.0 109.604 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -83.53 85.91 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.448 -1.315 . . . . 50.0 107.448 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.69 -24.65 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.828 -0.623 . . . . 50.0 111.784 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.65 -52.47 21.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.439 0.638 . . . . 50.0 109.52 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.06 -37.69 78.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.821 -0.627 . . . . 25.0 111.98 -172.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.29 -41.89 89.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.363 -0.606 . . . . 50.0 109.363 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.46 -31.91 37.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 121.289 0.566 . . . . 50.0 110.304 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -59.6 -43.16 93.79 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 116.178 -0.465 . . . . 25.0 110.809 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.47 -39.13 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.317 -0.994 . . . . 50.0 108.317 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.12 -49.52 60.56 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 115.647 -0.706 . . . . 50.0 112.221 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -36.75 84.41 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 121.132 -0.227 . . . . 50.0 110.638 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.95 -41.8 98.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.808 -0.441 . . . . 50.0 109.808 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.9 -23.33 39.05 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 118.792 -1.163 . . . . 50.0 111.539 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.9 -28.36 66.11 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.386 0.513 . . . . 25.0 112.386 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -104.2 -20.82 13.67 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.543 0.687 . . . . 50.0 111.169 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -96.43 13.88 26.36 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.682 -0.858 . . . . 50.0 108.682 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.86 -20.87 68.95 Favored Glycine 0 C--O 1.218 -0.897 0 N-CA-C 115.773 1.069 . . . . 25.0 115.773 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.17 2.72 51.52 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.432 0.634 . . . . 25.0 110.164 -172.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.01 -153.25 27.11 Favored Glycine 0 N--CA 1.424 -2.135 0 N-CA-C 105.067 -3.213 . . . . 50.0 105.067 172.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.73 169.59 22.96 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 121.72 -0.871 . . . . 50.0 110.815 -171.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.85 166.38 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 CA-C-N 115.224 -0.898 . . . . 50.0 109.953 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -119.97 -174.31 2.74 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 105.591 -2.004 . . . . 50.0 105.591 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -55.3 -46.9 76.24 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.415 0.894 . . . . 50.0 113.415 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -55.73 -44.79 77.88 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.286 0.494 . . . . 50.0 110.899 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -43.71 72.59 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 122.409 1.1 . . . . 50.0 109.113 -174.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -39.0 83.99 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 114.744 -1.117 . . . . 50.0 110.004 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.4 t -72.04 -36.12 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 121.173 -0.211 . . . . 50.0 110.862 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 73.2 t -58.06 -45.59 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.243 -0.651 . . . . 50.0 109.243 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.7 mt -69.33 -38.39 78.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.215 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.6 -44.75 99.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.828 -0.434 . . . . 50.0 109.828 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.44 82.95 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.992 -0.443 . . . . 25.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.24 97.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.39 0.614 . . . . 25.0 110.391 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.44 -34.31 74.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.387 0.613 . . . . 50.0 109.642 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.4 m -64.05 -43.07 96.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.33 -0.395 . . . . 25.0 111.342 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.6 m -72.27 -23.92 21.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 O-C-N 121.134 -0.979 . . . . 50.0 112.226 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.613 0 CA-C-O 122.231 1.015 . . . . 25.0 111.15 171.29 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.191 0 N-CA-C 107.197 -1.409 . . . . 25.0 107.197 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.34 -30.36 71.11 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.446 -0.501 . . . . 75.0 111.02 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tt -64.54 -41.11 96.56 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 122.46 1.124 . . . . 50.0 109.745 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -71.07 -36.42 72.26 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.749 -0.659 . . . . 50.0 110.551 -174.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.6 p -74.07 -26.53 60.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 173.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.47 92.78 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 107.856 -1.164 . . . . 25.0 107.856 175.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.5 mmm -70.76 -32.76 70.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.651 0.611 . . . . 50.0 112.651 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.7 -29.6 68.9 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.284 -0.635 . . . . 50.0 109.284 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.4 m -64.46 -43.14 95.17 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 174.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.54 -37.81 82.42 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.056 -0.72 . . . . 50.0 109.056 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.83 -48.63 85.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.517 0 N-CA-C 109.779 -0.452 . . . . 50.0 109.779 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -57.51 -46.95 83.18 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.598 0.714 . . . . 50.0 110.827 -177.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.87 -46.07 97.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.67 -0.696 . . . . 50.0 111.378 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.42 -45.96 92.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.152 0.501 . . . . 50.0 109.731 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -62.7 -27.63 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 124.006 0.922 . . . . 50.0 112.882 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.39 82.55 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -87.53 -21.44 25.44 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.37 0.605 . . . . 25.0 110.115 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.943 -0.571 . . . . 25.0 110.103 179.319 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 111.993 0.368 . . . . 50.0 111.993 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.91 149.04 52.28 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.967 -0.382 . . . . 50.0 109.967 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 tp -140.16 138.72 35.41 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 108.48 -0.933 . . . . 50.0 108.48 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.53 151.38 46.55 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.849 -0.341 . . . . 50.0 111.472 179.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -62.22 -43.96 97.66 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 113.253 0.835 . . . . 50.0 113.253 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -29.08 70.14 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.211 0.914 . . . . 50.0 110.8 -178.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -75.32 -30.4 60.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.217 -0.902 . . . . 50.0 109.099 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.8 tp -65.27 -29.62 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.285 -0.416 . . . . 50.0 111.409 176.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -62.24 -34.76 77.13 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.162 -0.615 . . . . 50.0 109.983 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.34 -46.72 82.23 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.315 -0.624 . . . . 50.0 109.315 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.49 -46.94 87.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.398 0.618 . . . . 50.0 109.791 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.96 -29.51 70.67 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.665 0.745 . . . . 50.0 111.948 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -81.69 -22.38 37.47 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.539 0.736 . . . . 50.0 111.893 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.8 m -101.4 -58.77 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.467 0.914 . . . . 25.0 113.467 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -82.71 -33.06 27.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.685 -0.634 . . . . 50.0 111.398 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.1 tp -97.51 9.91 41.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.473 0.654 . . . . 50.0 109.779 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.4 -36.36 21.82 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.381 1.993 . . . . 50.0 116.381 176.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.35 -38.79 62.46 Favored Glycine 0 N--CA 1.459 0.195 0 C-N-CA 120.238 -0.982 . . . . 50.0 110.807 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -69.49 -31.0 69.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.127 -0.694 . . . . 50.0 109.127 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.3 tp -69.75 -44.45 70.19 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 123.779 0.674 . . . . 50.0 110.479 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.3 -32.71 74.5 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.569 -0.742 . . . . 50.0 111.346 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.44 30.39 3.23 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 116.151 -0.477 . . . . 25.0 109.833 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.3 156.57 33.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.284 -0.635 . . . . 50.0 109.284 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -136.87 -47.25 0.6 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.15 0.5 . . . . 50.0 110.636 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -85.91 80.14 8.99 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.025 -1.102 . . . . 50.0 108.025 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.19 -23.55 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.682 -1.145 . . . . 50.0 113.863 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.77 -37.34 73.35 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.707 -0.621 . . . . 50.0 109.663 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.79 -37.64 55.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.905 -0.589 . . . . 25.0 112.235 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -66.38 -37.2 79.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.784 0.802 . . . . 50.0 109.143 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.4 -23.59 40.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 50.0 110.964 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -23.19 64.07 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.854 -0.612 . . . . 25.0 111.207 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.4 t -93.16 -48.86 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.476 -0.49 . . . . 50.0 110.877 173.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.1 mmt -65.73 -53.17 44.36 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 113.694 0.998 . . . . 50.0 113.694 -171.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -33.56 74.5 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.406 -0.59 . . . . 50.0 109.406 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.08 -46.02 90.96 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.463 -0.495 . . . . 50.0 110.103 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.12 -20.02 49.69 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 119.178 -1.009 . . . . 50.0 111.067 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -57.39 -29.93 64.48 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 111.914 0.338 . . . . 25.0 111.914 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -107.66 -20.85 13.09 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.256 0.551 . . . . 50.0 111.69 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -96.5 16.85 17.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.978 0.894 . . . . 50.0 109.802 177.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.16 -18.89 67.6 Favored Glycine 0 C--O 1.218 -0.863 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 -171.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -89.06 8.19 31.08 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.974 0.892 . . . . 25.0 110.167 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.32 -158.12 34.18 Favored Glycine 0 N--CA 1.415 -2.737 0 N-CA-C 104.368 -3.493 . . . . 50.0 104.368 171.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -151.59 169.51 21.94 Favored 'General case' 0 C--N 1.309 -1.158 0 O-C-N 122.11 -0.641 . . . . 50.0 109.954 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.03 167.82 16.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 123.922 0.764 . . . . 50.0 110.338 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -123.8 -174.14 2.91 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.205 -1.776 . . . . 50.0 106.205 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.28 -48.17 71.54 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 113.722 1.008 . . . . 50.0 113.722 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -56.49 -44.65 80.89 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.684 0.674 . . . . 50.0 110.55 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -48.31 69.56 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 122.329 1.061 . . . . 50.0 108.827 -175.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -40.33 86.13 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.634 -1.166 . . . . 50.0 110.773 -176.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 83.0 t -71.39 -37.33 64.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 122.166 -0.334 . . . . 50.0 111.116 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.3 -44.95 89.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 109.123 -0.695 . . . . 50.0 109.123 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.0 mt -70.27 -36.78 74.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.85 0.357 . . . . 50.0 111.436 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.8 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.632 -0.507 . . . . 50.0 109.632 176.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.75 -36.03 81.48 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.817 -0.552 . . . . 25.0 110.519 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.64 94.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.222 0.534 . . . . 25.0 110.336 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.04 -34.78 75.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.347 0.594 . . . . 50.0 109.83 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.4 m -64.47 -43.78 93.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.211 -0.45 . . . . 25.0 111.046 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.0 m -72.41 -19.0 19.2 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 N-CA-C 112.842 0.682 . . . . 50.0 112.842 177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.991 0 CA-C-O 121.973 0.892 . . . . 25.0 111.715 169.416 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 110.106 -0.331 . . . . 25.0 110.106 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -62.72 -40.18 96.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.963 -0.461 . . . . 75.0 110.265 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.57 -41.8 98.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.33 1.062 . . . . 50.0 109.991 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -69.69 -32.95 71.85 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 121.25 -0.906 . . . . 50.0 111.993 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -75.81 -27.44 57.92 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -45.93 92.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.629 -1.249 . . . . 25.0 107.629 172.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.67 -34.97 72.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.121 0.785 . . . . 50.0 113.121 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -68.2 -28.29 67.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 119.881 -0.728 . . . . 50.0 109.407 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.0 m -63.58 -44.19 94.78 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.755 0.312 . . . . 25.0 110.427 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.64 -37.44 81.52 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.487 -0.56 . . . . 50.0 109.487 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.15 -46.51 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 119.389 -0.338 . . . . 50.0 110.253 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -58.76 -46.78 86.7 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.227 0.329 . . . . 75.0 110.667 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.4 t -63.63 -44.35 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 50.0 112.035 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.87 -47.03 86.82 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.504 -0.554 . . . . 50.0 109.504 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -61.82 -29.32 70.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.91 0.707 . . . . 50.0 112.91 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.16 97.64 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -92.36 -22.37 19.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.786 0.327 . . . . 25.0 110.989 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.2 t -63.04 154.93 29.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.014 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.537 0 N-CA-C 110.977 -0.849 . . . . 25.0 110.977 -177.208 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm . . . . . 0 C--O 1.238 0.473 0 CA-C-O 121.336 0.589 . . . . 50.0 110.5 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.7 tp -137.85 136.91 37.59 Favored 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 108.838 -0.801 . . . . 50.0 108.838 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.15 148.88 51.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.499 0.59 . . . . 50.0 109.63 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.18 -43.89 95.51 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 113.121 0.785 . . . . 50.0 113.121 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -26.99 67.16 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.754 0.706 . . . . 50.0 110.679 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -78.8 -23.51 45.12 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.39 -0.823 . . . . 50.0 109.502 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.4 tp -71.31 -28.76 64.33 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.575 -0.703 . . . . 50.0 110.063 173.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -60.67 -31.59 70.83 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 120.454 -0.498 . . . . 50.0 109.995 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.8 -49.69 75.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.456 -0.572 . . . . 50.0 109.456 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.84 -45.74 93.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.219 -0.66 . . . . 50.0 109.219 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.33 -29.34 70.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.552 0.691 . . . . 50.0 111.825 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -81.98 -22.34 36.65 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 123.585 0.754 . . . . 50.0 112.388 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 37.5 m -105.26 -56.52 2.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -172.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -87.99 -24.11 23.63 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.922 -0.486 . . . . 50.0 111.574 -176.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.2 tp -105.11 10.37 33.93 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.63 -0.878 . . . . 50.0 108.63 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -51.13 -34.58 31.52 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.814 1.783 . . . . 50.0 115.814 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.35 -36.96 59.23 Favored Glycine 0 C--O 1.222 -0.597 0 C-N-CA 120.322 -0.942 . . . . 50.0 110.768 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.12 -29.63 65.49 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.889 -0.771 . . . . 50.0 109.398 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 25.1 tp -69.93 -43.23 72.04 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.503 -0.554 . . . . 50.0 109.503 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.88 -32.27 73.42 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.703 -0.68 . . . . 50.0 111.324 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.12 26.91 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -63.19 154.17 32.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.651 -0.5 . . . . 50.0 109.651 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -135.66 -54.66 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.022 0.439 . . . . 50.0 110.006 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -84.12 83.54 7.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.18 -1.415 . . . . 50.0 107.18 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.8 m -63.93 -28.73 45.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.996 -1.002 . . . . 50.0 112.596 -171.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.13 -35.48 80.6 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.008 -0.738 . . . . 50.0 109.008 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.14 -38.19 25.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.974 -0.557 . . . . 25.0 112.216 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -65.85 -39.06 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.104 -0.702 . . . . 50.0 109.104 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -80.54 -28.4 37.32 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.839 -0.619 . . . . 50.0 110.913 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -36.54 71.61 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 110.211 -0.292 . . . . 25.0 110.211 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.03 -43.04 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.397 0.617 . . . . 50.0 109.507 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.4 mmt -68.74 -50.69 48.58 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 112.482 0.549 . . . . 50.0 112.482 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -35.41 80.64 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.822 -0.351 . . . . 50.0 110.435 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -61.93 -43.85 97.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.72 -0.392 . . . . 50.0 110.348 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.92 -24.19 48.37 Favored 'General case' 0 C--O 1.206 -1.193 0 C-N-CA 118.879 -1.128 . . . . 50.0 110.437 -178.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.65 -25.81 67.61 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 111.963 0.357 . . . . 25.0 111.963 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -102.04 -23.23 14.12 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.375 0.607 . . . . 50.0 110.778 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -96.55 13.94 26.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.554 0.692 . . . . 50.0 109.618 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.7 -23.27 65.04 Favored Glycine 0 C--O 1.221 -0.669 0 N-CA-C 116.371 1.309 . . . . 25.0 116.371 -168.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -88.79 4.89 45.99 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.68 0.753 . . . . 25.0 110.229 -173.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.55 -156.14 31.53 Favored Glycine 0 N--CA 1.417 -2.624 0 N-CA-C 104.314 -3.514 . . . . 50.0 104.314 171.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.44 170.83 18.63 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.975 -0.721 . . . . 50.0 110.536 -173.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.25 165.52 17.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.269 -0.878 . . . . 50.0 109.754 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -123.01 -174.2 2.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 105.796 -1.928 . . . . 50.0 105.796 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -53.47 -48.35 68.96 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.899 1.074 . . . . 50.0 113.899 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -55.65 -45.77 77.59 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.315 0.507 . . . . 50.0 110.625 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -46.1 76.34 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-O 122.216 1.007 . . . . 50.0 108.75 -174.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -39.81 86.42 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.808 -1.087 . . . . 50.0 110.722 -177.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -71.04 -36.7 64.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 122.169 -0.332 . . . . 50.0 110.718 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 58.4 t -59.52 -44.53 93.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.334 -0.617 . . . . 50.0 109.334 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -69.71 -37.57 76.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.893 0.378 . . . . 50.0 111.138 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.83 -43.91 99.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.579 -0.526 . . . . 50.0 109.579 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.9 83.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.038 -0.414 . . . . 25.0 110.567 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.36 90.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.315 0.578 . . . . 25.0 110.51 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.06 -32.33 68.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.655 0.741 . . . . 50.0 110.157 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 42.6 m -65.42 -44.97 85.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.067 -0.515 . . . . 25.0 110.489 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.8 m -69.67 -22.44 25.13 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 N-CA-C 113.796 1.036 . . . . 50.0 113.796 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 CA-C-O 121.999 0.904 . . . . 25.0 110.82 170.589 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.239 0.521 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -62.0 -39.26 91.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.376 -0.601 . . . . 75.0 109.376 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tt -64.71 -41.83 95.71 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 121.576 0.703 . . . . 50.0 110.772 177.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.04 -37.2 85.27 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 121.512 -0.743 . . . . 50.0 111.628 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.2 p -76.1 -26.86 56.83 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.7 98.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 172.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.9 mmm -71.92 -31.16 66.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.795 0.665 . . . . 50.0 112.795 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -69.64 -26.55 64.47 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.88 -0.728 . . . . 50.0 109.567 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 m -62.92 -43.53 98.54 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.162 0.506 . . . . 25.0 109.996 172.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.07 -36.57 84.45 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.324 -0.621 . . . . 50.0 109.324 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.72 -48.3 85.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.853 -0.795 . . . . 50.0 108.853 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -58.93 -50.93 72.18 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.225 0.536 . . . . 50.0 111.698 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.2 p -67.05 -35.96 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-N 115.612 -0.722 . . . . 50.0 112.629 -177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.48 -45.84 92.29 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.94 -1.1 . . . . 50.0 109.479 173.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -74.58 -14.06 60.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.254 1.205 . . . . 50.0 114.254 -175.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.76 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -93.22 -25.24 17.89 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 p . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 121.469 0.652 . . . . 25.0 111.489 -174.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 . . . . . 0 N--CA 1.469 0.483 0 CA-C-O 121.196 0.522 . . . . 50.0 110.469 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -127.34 158.57 36.91 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.787 -0.642 . . . . 50.0 109.915 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.1 tp -138.94 131.85 29.38 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.344 -1.354 . . . . 50.0 107.344 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.99 151.38 46.92 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.428 -0.17 . . . . 50.0 111.068 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -63.83 -41.1 97.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.388 0.884 . . . . 50.0 113.388 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -28.56 70.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.748 1.158 . . . . 50.0 110.504 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -80.4 -27.42 38.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.644 0.735 . . . . 50.0 110.428 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.9 tp -64.38 -34.3 77.85 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.916 -0.49 . . . . 50.0 110.071 175.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -56.04 -37.73 69.62 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.22 -0.445 . . . . 50.0 110.865 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.33 -48.42 75.65 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.568 -0.53 . . . . 50.0 109.568 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.22 -44.98 96.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.68 -0.489 . . . . 50.0 109.68 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.68 -30.5 71.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 50.0 111.731 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.91 -21.69 37.22 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 122.818 0.447 . . . . 50.0 112.102 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.3 m -104.31 -53.87 2.64 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 -173.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -89.95 -22.24 22.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.074 0.398 . . . . 50.0 112.074 -174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.4 tp -109.42 10.35 25.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.733 -0.84 . . . . 50.0 108.733 176.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.94 -40.01 13.41 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 115.239 1.57 . . . . 50.0 115.239 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.29 80.02 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.102 -1.047 . . . . 50.0 113.397 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.2 m-30 -82.55 -29.58 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.711 -0.876 . . . . 50.0 108.929 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.0 tp -69.55 -42.3 74.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.973 0.416 . . . . 50.0 110.135 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.06 -35.23 79.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.606 0.717 . . . . 50.0 110.726 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.43 28.43 3.72 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.984 -0.553 . . . . 25.0 110.807 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.23 155.44 24.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.161 0.505 . . . . 50.0 110.667 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -128.61 -48.48 1.27 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.065 -0.717 . . . . 50.0 109.065 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -81.01 90.11 5.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 50.0 110.59 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.5 m -67.18 -23.54 30.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.673 -0.694 . . . . 50.0 111.743 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.459 ' CG ' ' HZ3' ' A' ' 56' ' ' LYS . 33.2 t70 -78.15 -41.0 36.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.076 0.465 . . . . 50.0 110.289 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.47 -39.92 44.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.43 -37.68 80.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.036 -0.727 . . . . 50.0 109.036 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.62 -27.78 40.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.877 -0.601 . . . . 50.0 110.629 -176.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 1.2 ttmm -60.0 -37.29 79.26 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.858 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.1 t -70.92 -44.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.844 0.83 . . . . 50.0 109.516 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.6 mmt -69.53 -45.96 67.61 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 115.726 -0.67 . . . . 50.0 111.8 -174.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -36.09 82.54 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.589 -0.152 . . . . 50.0 110.589 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -62.09 -46.92 86.93 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.219 -0.66 . . . . 50.0 109.219 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.41 -19.55 49.74 Favored 'General case' 0 C--O 1.208 -1.123 0 C-N-CA 119.672 -0.811 . . . . 50.0 110.55 -174.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.31 -30.62 71.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.408 0.623 . . . . 25.0 110.274 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -98.29 -28.19 13.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.705 0.764 . . . . 50.0 110.307 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -98.37 17.17 19.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.365 -0.834 . . . . 50.0 111.584 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.73 -19.33 62.8 Favored Glycine 0 CA--C 1.502 -0.72 0 CA-C-O 121.389 0.438 . . . . 25.0 114.019 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -84.36 -4.49 58.92 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.741 0.782 . . . . 25.0 109.639 -173.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.59 -162.0 37.88 Favored Glycine 0 N--CA 1.423 -2.214 0 N-CA-C 106.506 -2.637 . . . . 50.0 106.506 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -150.23 165.58 32.52 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.152 -1.024 . . . . 50.0 109.443 -175.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.22 167.68 22.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.087 -0.96 . . . . 50.0 108.906 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -119.52 -174.15 2.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 104.921 -2.251 . . . . 50.0 104.921 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -52.89 -46.43 67.97 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 113.045 0.757 . . . . 50.0 113.045 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -55.22 -49.7 71.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.492 0.587 . . . . 50.0 111.033 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -73.18 -38.22 66.24 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 121.614 0.721 . . . . 50.0 109.627 -172.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -41.37 88.42 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.575 -0.739 . . . . 50.0 109.809 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.3 t -71.49 -36.78 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 122.176 -0.328 . . . . 50.0 111.134 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.67 -44.34 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.339 -0.615 . . . . 50.0 109.339 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -71.5 -35.54 70.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.423 -0.353 . . . . 50.0 111.309 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.04 -43.64 97.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.417 -0.586 . . . . 50.0 109.417 175.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.3 83.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.955 -0.466 . . . . 25.0 110.915 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.54 99.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.313 0.578 . . . . 25.0 109.905 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -34.89 75.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.52 0.676 . . . . 50.0 109.976 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.8 m -63.32 -41.67 98.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.819 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.1 m -76.35 -23.98 15.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 O-C-N 121.042 -1.036 . . . . 50.0 111.956 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.376 0 CA-C-O 122.433 1.111 . . . . 25.0 108.697 172.615 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 C--O 1.237 0.414 0 N-CA-C 108.72 -0.845 . . . . 25.0 108.72 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -61.58 -34.58 75.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.355 0.598 . . . . 75.0 109.735 176.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tt -68.14 -41.76 81.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.196 0.522 . . . . 50.0 110.738 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.41 -40.18 95.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.464 -0.773 . . . . 50.0 110.683 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.9 p -71.51 -27.92 63.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.654 -0.418 . . . . 25.0 110.622 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.68 97.24 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.3 mmm -71.15 -31.98 68.37 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.572 0.582 . . . . 50.0 112.572 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -67.71 -28.44 67.66 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.603 -0.686 . . . . 50.0 109.521 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.0 m -63.77 -43.19 97.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.092 0.472 . . . . 25.0 110.398 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.09 -37.78 88.69 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.06 -0.719 . . . . 50.0 109.06 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.26 -47.48 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.052 -0.722 . . . . 50.0 109.052 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -57.41 -50.8 71.84 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 112.123 0.416 . . . . 75.0 112.123 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -70.92 -35.16 58.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 N-CA-C 112.661 0.615 . . . . 50.0 112.661 -175.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.78 -45.83 91.07 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.264 -0.897 . . . . 50.0 109.448 173.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -73.43 -14.1 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.12 1.156 . . . . 50.0 114.12 -175.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.51 94.86 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 175.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -94.08 -19.88 20.43 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.9 p -62.03 163.79 7.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.671 0 C-N-CA 120.923 -0.656 . . . . 25.0 112.787 -179.415 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm . . . . . 0 C--O 1.235 0.325 0 CA-C-O 121.243 0.544 . . . . 50.0 111.975 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.6 tp -141.13 135.63 31.09 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 108.141 -1.059 . . . . 50.0 108.141 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.426 ' HB3' ' HZ3' ' B' ' 31' ' ' LYS . 1.0 OUTLIER -63.86 147.93 50.65 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.445 0.535 . . . . 50.0 112.445 -179.585 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -63.65 -48.58 76.66 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.472 -0.767 . . . . 50.0 112.508 -177.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.426 ' HZ3' ' HB3' ' B' ' 29' ' ' SER . 0.0 OUTLIER -56.88 -33.58 67.01 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.429 0.529 . . . . 50.0 112.429 176.488 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.05 -30.69 62.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.625 0.726 . . . . 50.0 110.875 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.2 -28.8 70.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.041 -0.527 . . . . 50.0 111.635 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -61.89 -37.12 83.38 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 120.702 -0.399 . . . . 50.0 110.381 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.25 -44.11 84.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.901 -0.777 . . . . 50.0 108.901 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.27 -45.85 92.79 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.023 -0.535 . . . . 50.0 109.836 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.73 -29.46 70.68 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 121.4 0.619 . . . . 50.0 111.893 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -81.93 -20.55 38.44 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.014 0.526 . . . . 50.0 111.2 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -99.24 -55.27 2.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.739 -0.664 . . . . 25.0 111.95 -177.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -88.83 -18.65 27.21 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 113.035 0.754 . . . . 50.0 113.035 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 tp -117.12 13.09 14.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.501 0.667 . . . . 50.0 109.791 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.54 -37.27 11.84 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 115.209 1.559 . . . . 50.0 115.209 175.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.95 -28.95 71.16 Favored Glycine 0 C--O 1.226 -0.391 0 C-N-CA 120.833 -0.699 . . . . 50.0 112.49 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -78.78 -26.83 44.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.687 -0.89 . . . . 50.0 108.741 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.43 -40.14 70.59 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.444 -0.576 . . . . 50.0 109.444 175.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.49 -33.15 74.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.455 0.645 . . . . 50.0 111.512 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.21 25.85 8.38 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.979 -0.555 . . . . 25.0 111.124 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -63.32 151.6 40.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.077 0.465 . . . . 50.0 109.963 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -127.44 -49.2 1.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.712 -0.848 . . . . 50.0 108.712 177.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -88.25 91.58 8.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.754 -0.657 . . . . 50.0 109.824 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.92 -30.28 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.647 -0.706 . . . . 50.0 111.504 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.56 -38.63 84.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.494 0.664 . . . . 50.0 110.103 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.61 -39.61 36.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.97 -0.559 . . . . 25.0 111.737 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.07 -39.21 79.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.803 -0.443 . . . . 50.0 109.803 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -79.45 -26.79 41.68 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 116.38 -0.373 . . . . 50.0 110.564 -176.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -55.83 -43.26 76.83 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.55 -43.5 90.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.56 0.695 . . . . 50.0 109.666 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.9 mmt -69.05 -49.21 59.5 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.79 -0.641 . . . . 50.0 112.211 -175.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -37.2 86.01 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 121.005 -0.278 . . . . 50.0 110.576 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.99 -46.1 90.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.383 -0.599 . . . . 50.0 109.383 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.92 -21.59 50.91 Favored 'General case' 0 C--O 1.209 -1.068 0 C-N-CA 119.133 -1.027 . . . . 50.0 110.492 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.28 -27.87 69.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.305 0.574 . . . . 25.0 110.365 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -101.28 -22.73 14.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.535 0.684 . . . . 50.0 110.528 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' B' ' 66' ' ' ASP . 14.4 m-80 -95.81 16.53 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.902 -0.59 . . . . 50.0 109.56 177.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.4 20.34 2.72 Favored Glycine 0 C--O 1.218 -0.855 0 CA-C-O 121.636 0.576 . . . . 25.0 113.623 -176.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' B' ' 64' ' ' ASN . 24.8 t0 -100.94 -30.11 11.83 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 174.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.38 -152.31 27.13 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 122.812 1.229 . . . . 50.0 114.649 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -148.78 171.11 16.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 113.598 -1.301 . . . . 50.0 110.376 -170.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 m -141.09 170.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.088 -0.96 . . . . 50.0 108.749 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -117.85 -174.12 2.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 105.734 -1.95 . . . . 50.0 105.734 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.52 -46.9 70.27 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 113.063 0.764 . . . . 50.0 113.063 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -54.69 -48.93 71.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 118.143 0.429 . . . . 50.0 111.0 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.38 -36.34 66.05 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.568 0.699 . . . . 50.0 109.785 -172.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -40.02 89.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.796 -0.638 . . . . 50.0 109.342 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 86.4 t -72.63 -35.89 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.257 -0.277 . . . . 50.0 110.985 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.71 -44.97 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 109.203 -0.666 . . . . 50.0 109.203 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.4 mt -70.9 -37.03 72.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.353 -0.385 . . . . 50.0 111.411 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.23 -44.42 99.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.266 -0.642 . . . . 50.0 109.266 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.38 -37.61 87.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.098 -0.376 . . . . 25.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.29 97.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.28 0.562 . . . . 25.0 110.448 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.14 -36.56 77.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.453 0.644 . . . . 50.0 109.581 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -61.71 -43.4 98.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.152 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 23.3 m -71.65 -23.96 22.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 119.317 0.962 . . . . 50.0 113.195 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 121.575 0.703 . . . . 25.0 110.005 174.533 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p . . . . . 0 C--O 1.238 0.475 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.86 -29.39 69.83 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 120.552 -0.459 . . . . 75.0 109.965 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.52 -42.93 86.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.46 0.648 . . . . 50.0 109.662 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.73 -42.16 97.95 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.596 -0.69 . . . . 50.0 110.005 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 p -71.5 -27.25 63.09 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.568 -0.453 . . . . 25.0 110.632 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.39 87.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -71.66 -30.57 65.88 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.49 0.552 . . . . 50.0 112.49 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -70.26 -27.45 64.45 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.18 -0.674 . . . . 50.0 109.18 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 m -65.85 -42.98 89.8 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.86 -35.07 75.65 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.789 -0.819 . . . . 50.0 108.789 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -67.13 -45.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.664 -0.495 . . . . 50.0 109.664 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.62 -50.53 73.49 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.332 0.587 . . . . 50.0 110.342 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.49 -42.78 97.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.322 -0.854 . . . . 50.0 111.151 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.42 -48.38 81.45 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.758 -0.589 . . . . 50.0 110.859 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -64.85 -23.3 67.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.753 0.279 . . . . 50.0 111.753 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.04 79.07 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.879 0.326 . . . . 25.0 111.879 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -102.43 -17.25 15.9 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.901 0.382 . . . . 25.0 111.08 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 CA--C 1.506 -0.744 0 CA-C-O 121.886 0.85 . . . . 25.0 111.789 -178.836 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 CA--C 1.518 -0.264 0 N-CA-C 110.624 -0.139 . . . . 50.0 110.624 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -126.23 148.23 49.51 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.762 0.791 . . . . 50.0 111.387 -176.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.66 133.14 31.98 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 106.314 -1.736 . . . . 50.0 106.314 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -64.09 147.63 51.74 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 121.071 -0.252 . . . . 50.0 110.787 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -60.32 -51.45 69.45 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.398 -0.814 . . . . 50.0 112.981 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -30.76 68.17 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.166 0.432 . . . . 50.0 112.166 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -78.19 -23.75 47.46 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.486 -0.325 . . . . 50.0 110.827 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.3 tp -69.81 -26.43 64.24 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 121.482 -0.761 . . . . 50.0 110.212 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -61.69 -32.36 72.55 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 120.282 -0.567 . . . . 50.0 109.63 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.97 -47.58 85.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.349 -0.611 . . . . 50.0 109.349 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.64 -44.02 97.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.195 0.522 . . . . 50.0 109.835 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.75 -28.68 69.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.668 0.747 . . . . 50.0 111.721 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -81.89 -22.42 36.88 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 123.5 0.72 . . . . 50.0 111.484 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.1 m -101.78 -59.69 1.66 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.466 0.913 . . . . 25.0 113.466 -173.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.3 -43.15 19.54 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 122.021 0.915 . . . . 50.0 110.372 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tp -89.29 11.41 19.03 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.915 -1.039 . . . . 50.0 109.715 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -52.5 -37.33 57.16 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 115.381 1.623 . . . . 50.0 115.381 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.58 -37.79 52.23 Favored Glycine 0 C--O 1.226 -0.39 0 N-CA-C 110.057 -1.217 . . . . 50.0 110.057 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -66.88 -26.21 66.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.247 -0.476 . . . . 50.0 110.437 176.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.2 tp -78.43 -44.51 24.57 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.431 0.692 . . . . 50.0 110.617 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -65.73 -30.65 71.35 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.766 -0.652 . . . . 50.0 111.848 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.1 21.89 4.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.108 -0.37 . . . . 25.0 110.179 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.72 152.63 30.57 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.193 0.52 . . . . 50.0 110.133 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -133.62 -48.9 0.83 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.383 0.611 . . . . 50.0 109.619 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -83.53 82.08 8.45 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.02 -1.474 . . . . 50.0 107.02 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.4 m -63.28 -22.7 31.42 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 115.325 -0.852 . . . . 50.0 112.115 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.33 -43.13 67.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.569 -0.53 . . . . 50.0 109.569 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.51 -34.7 60.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.386 0.513 . . . . 25.0 112.386 -174.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.41 -36.68 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.666 -0.864 . . . . 50.0 108.666 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -79.99 -23.99 41.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.588 -0.733 . . . . 50.0 110.952 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.45 -23.44 64.44 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 116.558 -0.292 . . . . 25.0 110.98 174.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.1 t -92.9 -48.4 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.762 0.791 . . . . 50.0 110.406 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.1 mmt -68.22 -52.8 30.14 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 112.687 0.625 . . . . 50.0 112.687 -173.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -35.98 82.15 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.574 -0.528 . . . . 50.0 109.574 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -58.88 -49.29 78.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.447 -0.501 . . . . 50.0 109.932 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -21.0 48.65 Favored 'General case' 0 C--O 1.206 -1.217 0 C-N-CA 119.153 -1.019 . . . . 50.0 109.852 -174.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.62 -25.08 66.42 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 122.1 -0.375 . . . . 25.0 110.492 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -100.18 -27.05 13.72 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.509 0.671 . . . . 50.0 110.531 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -95.19 19.74 10.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.937 0.875 . . . . 50.0 109.278 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.9 32.29 2.72 Favored Glycine 0 C--O 1.216 -1.003 0 CA-C-N 115.326 -0.852 . . . . 25.0 112.758 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -115.88 -7.82 11.98 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 120.616 0.246 . . . . 25.0 111.173 171.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.43 -156.46 30.37 Favored Glycine 0 N--CA 1.435 -1.399 0 CA-C-O 122.964 1.314 . . . . 50.0 110.611 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -149.61 159.27 44.46 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 113.186 -1.507 . . . . 50.0 108.993 -174.693 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.07 170.5 16.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 123.386 0.674 . . . . 50.0 110.521 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -119.53 -174.13 2.67 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.391 -1.337 . . . . 50.0 107.391 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -53.57 -47.75 69.81 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 113.183 0.808 . . . . 50.0 113.183 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -55.01 -45.25 75.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 118.082 0.401 . . . . 50.0 110.629 -177.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.03 -42.88 65.82 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 122.018 0.913 . . . . 50.0 109.891 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -40.79 77.99 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.902 -1.044 . . . . 50.0 110.477 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.7 t -71.9 -36.91 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 122.252 -0.28 . . . . 50.0 111.004 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.31 -45.25 93.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.445 -0.576 . . . . 50.0 109.445 177.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.1 mt -68.39 -37.86 80.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.185 0.517 . . . . 50.0 110.846 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.7 t -63.35 -43.8 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.292 -0.413 . . . . 50.0 110.051 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.31 86.25 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.999 -0.438 . . . . 25.0 110.566 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.33 96.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.376 0.608 . . . . 25.0 110.046 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.56 -37.94 80.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.351 0.596 . . . . 50.0 109.952 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.3 m -60.73 -47.91 84.18 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.389 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.54 -23.58 33.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 N-CA-C 113.207 0.818 . . . . 50.0 113.207 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.959 0 N-CA-C 113.293 0.849 . . . . 25.0 113.293 172.364 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.37 -44.04 95.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.198 0.523 . . . . 75.0 111.518 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.02 -39.9 90.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.011 0.91 . . . . 50.0 109.576 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -65.76 -38.42 89.03 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 121.832 -0.542 . . . . 50.0 111.126 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.2 p -71.8 -27.97 63.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.464 -0.495 . . . . 25.0 110.111 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.68 89.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -71.8 -31.46 66.59 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.68 0.622 . . . . 50.0 112.68 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.98 -27.24 64.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.402 -0.592 . . . . 50.0 109.402 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.0 m -64.29 -43.04 96.01 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.981 0.42 . . . . 25.0 110.179 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.32 -35.52 77.62 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.701 -0.481 . . . . 50.0 109.701 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -65.52 -45.49 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 109.65 -0.5 . . . . 50.0 109.65 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -57.61 -50.13 74.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 75.0 110.526 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.66 -43.1 98.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.411 -0.813 . . . . 50.0 111.754 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -61.92 -46.99 86.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.839 -0.538 . . . . 50.0 110.415 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -67.08 -25.42 66.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.394 -0.366 . . . . 50.0 111.829 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.92 80.38 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.184 0.438 . . . . 25.0 112.184 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -99.41 -10.63 21.98 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 120.817 0.341 . . . . 25.0 110.879 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.2 m -65.98 156.75 32.68 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.924 0.868 . . . . 25.0 111.155 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.439 0 CA-C-N 115.087 -0.961 . . . . 25.0 111.55 -177.324 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 121.17 0.51 . . . . 50.0 110.397 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.19 138.07 41.54 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 106.406 -1.701 . . . . 50.0 106.406 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.9 152.58 44.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.474 0.546 . . . . 50.0 112.474 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -65.5 -52.02 55.8 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.215 0.916 . . . . 50.0 112.142 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -30.84 64.66 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.627 -0.67 . . . . 50.0 112.062 177.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -81.03 -23.53 38.54 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 121.218 0.532 . . . . 50.0 111.192 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 15.3 tp -66.48 -31.36 72.04 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 121.465 -0.772 . . . . 50.0 109.96 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -60.12 -32.65 71.2 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 116.094 -0.503 . . . . 50.0 110.497 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -66.18 -48.72 69.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.779 -0.823 . . . . 50.0 108.779 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.33 -45.56 91.03 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.188 -0.671 . . . . 50.0 109.188 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.51 -30.18 71.09 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.06 -0.518 . . . . 50.0 111.579 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -81.47 -21.76 38.52 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 113.253 0.835 . . . . 50.0 113.253 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 35.5 m -100.75 -48.66 4.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.568 -1.651 . . . . 25.0 111.986 -173.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -94.18 -39.99 10.26 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 111.94 0.348 . . . . 50.0 111.94 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.0 tp -90.57 10.61 24.84 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.298 1.047 . . . . 50.0 108.477 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -37.36 27.8 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 115.624 1.713 . . . . 50.0 115.624 177.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.98 -29.24 73.41 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 118.543 0.61 . . . . 50.0 112.173 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -80.7 -28.09 36.77 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.887 -0.773 . . . . 50.0 109.355 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.29 -40.8 77.49 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.259 0.349 . . . . 50.0 110.353 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.84 -35.6 81.12 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.894 0.854 . . . . 50.0 110.605 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.86 38.32 1.95 Allowed 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.532 -0.758 . . . . 25.0 109.888 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -71.28 157.6 37.83 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.402 -0.962 . . . . 50.0 108.402 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -135.36 -42.94 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.928 -0.397 . . . . 50.0 109.928 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -85.11 89.84 7.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.311 -0.626 . . . . 50.0 109.311 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 30.0 m -67.6 -22.12 28.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.844 -0.616 . . . . 50.0 111.944 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.73 -46.58 21.38 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.503 -0.554 . . . . 50.0 109.503 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.07 64.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -176.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.72 -37.8 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.435 -0.58 . . . . 50.0 109.435 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.31 -31.08 38.23 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.903 -0.589 . . . . 50.0 110.786 -174.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -64.08 -33.86 76.72 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.5 t -69.18 -40.66 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 107.976 -1.12 . . . . 50.0 107.976 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.9 mmt -70.21 -48.48 56.87 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 115.03 -0.986 . . . . 50.0 111.624 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -37.08 86.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.266 -0.272 . . . . 50.0 110.266 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -59.52 -48.55 81.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.72 -20.5 53.44 Favored 'General case' 0 C--O 1.212 -0.898 0 C-N-CA 118.854 -1.138 . . . . 50.0 110.082 -173.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.7 -25.01 65.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.902 0.382 . . . . 25.0 110.617 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -101.31 -25.71 13.87 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.167 0.508 . . . . 50.0 110.292 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' B' ' 66' ' ' ASP . 55.5 m-80 -94.88 25.34 4.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.104 -1.072 . . . . 50.0 108.104 174.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.77 29.9 4.0 Favored Glycine 0 C--O 1.224 -0.473 0 CA-C-O 122.206 0.892 . . . . 25.0 110.902 -177.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' B' ' 64' ' ' ASN . 15.6 p-10 -104.53 -29.88 10.38 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.979 -0.61 . . . . 25.0 110.497 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -101.08 -149.44 23.06 Favored Glycine 0 N--CA 1.437 -1.273 0 CA-C-O 122.349 0.972 . . . . 50.0 114.271 -173.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -149.72 156.49 41.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.217 -0.992 . . . . 50.0 110.616 -171.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -128.58 174.13 12.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.313 -0.858 . . . . 50.0 110.56 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -124.04 -174.47 3.0 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.364 -1.717 . . . . 50.0 106.364 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -52.38 -47.88 65.93 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 113.293 0.849 . . . . 50.0 113.293 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -55.46 -46.95 76.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.421 0.555 . . . . 50.0 111.442 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -42.84 70.37 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 122.184 0.993 . . . . 50.0 109.156 -173.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -40.11 86.2 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.01 -0.995 . . . . 50.0 110.611 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.2 t -71.45 -36.47 60.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 121.113 -0.235 . . . . 50.0 110.856 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.52 -46.02 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 109.323 -0.621 . . . . 50.0 109.323 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.8 mt -69.98 -37.19 75.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.115 -0.493 . . . . 50.0 110.923 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 t -62.8 -43.54 98.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.544 -0.539 . . . . 50.0 109.544 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.14 84.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.056 -0.403 . . . . 25.0 110.728 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.78 98.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.27 0.557 . . . . 25.0 110.284 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.87 -34.34 73.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.352 0.596 . . . . 50.0 109.811 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 88.7 m -62.95 -42.4 99.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.032 -0.418 . . . . 25.0 111.428 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.49 -26.35 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 119.412 1.005 . . . . 50.0 111.346 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 122.147 0.975 . . . . 25.0 110.002 173.038 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 C--O 1.238 0.484 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -35.33 78.07 Favored 'General case' 0 C--O 1.214 -0.813 0 C-N-CA 120.353 -0.539 . . . . 75.0 110.096 177.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 tt -66.58 -42.3 87.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.349 0.595 . . . . 50.0 110.612 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -64.97 -41.65 95.27 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.707 -0.621 . . . . 50.0 110.684 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.3 p -74.0 -28.46 61.46 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.081 -0.34 . . . . 25.0 110.081 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -47.15 86.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.037 -1.097 . . . . 25.0 108.037 175.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.7 mmm -69.71 -32.27 70.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.876 -0.515 . . . . 50.0 111.985 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -67.46 -31.0 70.86 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.04 -0.726 . . . . 50.0 109.04 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 m -63.76 -43.4 96.55 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 174.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.74 -37.25 85.83 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.404 -0.591 . . . . 50.0 109.404 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.03 -48.26 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.427 -0.583 . . . . 50.0 109.427 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -59.81 -49.52 77.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.848 0.356 . . . . 50.0 111.601 -177.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 p -69.34 -34.59 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 122.31 -0.244 . . . . 50.0 110.854 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -61.12 -46.74 89.34 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.432 -0.793 . . . . 50.0 110.07 172.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -63.08 -30.68 71.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.588 -177.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.2 -39.01 77.88 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -95.06 -13.84 24.81 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.747 0.277 . . . . 25.0 111.747 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--N 1.327 -0.395 0 N-CA-C 113.601 0.963 . . . . 25.0 113.601 -177.498 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 110.75 -0.093 . . . . 50.0 110.75 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -124.56 138.85 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.689 0.757 . . . . 50.0 111.539 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.52 134.37 48.66 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 107.468 -1.308 . . . . 50.0 107.468 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.16 153.68 42.83 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 119.548 -0.861 . . . . 50.0 109.652 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -64.06 -43.62 94.92 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 113.422 0.897 . . . . 50.0 113.422 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -30.57 71.65 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.446 1.021 . . . . 50.0 110.189 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -77.99 -27.77 49.15 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.353 -0.839 . . . . 50.0 110.169 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.2 tp -63.7 -33.58 75.95 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 121.919 -0.488 . . . . 50.0 110.67 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -60.5 -32.41 71.42 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 120.729 -0.389 . . . . 50.0 110.743 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.25 -48.73 76.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.279 -0.637 . . . . 50.0 109.279 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.18 -46.21 90.48 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.119 -0.697 . . . . 50.0 109.119 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.68 -31.08 72.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 50.0 111.892 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.98 -22.4 36.62 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 122.876 0.471 . . . . 50.0 111.874 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.0 m -97.88 -59.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.581 0.586 . . . . 25.0 112.581 -175.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -85.94 -25.56 26.01 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.391 0.515 . . . . 50.0 112.391 -174.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.9 tp -103.56 10.76 36.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.941 -0.763 . . . . 50.0 108.941 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -48.02 -39.15 18.89 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.677 1.732 . . . . 50.0 115.677 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.27 65.02 Favored Glycine 0 C--N 1.324 -0.098 0 N-CA-C 110.7 -0.96 . . . . 50.0 110.7 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -70.03 -32.66 70.9 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.778 -0.837 . . . . 50.0 108.906 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -41.95 76.45 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 120.782 0.325 . . . . 50.0 110.889 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.69 -35.77 80.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.666 0.746 . . . . 50.0 111.004 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.8 29.08 3.53 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.76 -0.655 . . . . 25.0 110.156 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.4 153.18 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.035 -0.728 . . . . 50.0 109.035 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -126.4 -50.23 1.53 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.486 -0.931 . . . . 50.0 108.486 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -86.01 82.12 8.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.867 0.841 . . . . 50.0 109.208 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.41 -23.03 32.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 114.909 -1.041 . . . . 50.0 113.452 -174.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.32 -42.94 61.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.31 0.576 . . . . 50.0 109.703 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.77 62.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.875 -174.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -64.6 -37.9 81.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.424 -0.954 . . . . 50.0 108.424 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -77.42 -28.05 52.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.485 -0.78 . . . . 50.0 111.814 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -55.75 -39.96 71.9 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 122.353 -0.217 . . . . 25.0 110.994 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.8 t -74.26 -45.62 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.367 0.603 . . . . 50.0 110.105 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -67.72 -47.18 70.09 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 112.525 0.565 . . . . 50.0 112.525 -173.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -65.77 -35.3 80.33 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.774 -0.371 . . . . 50.0 110.523 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -47.55 81.62 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.441 -0.577 . . . . 50.0 109.441 177.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.48 -20.47 56.96 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 119.704 -0.798 . . . . 50.0 109.721 -172.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -24.67 67.91 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.508 -0.477 . . . . 25.0 111.099 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -102.83 -27.44 12.66 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.627 0.727 . . . . 50.0 111.237 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -97.11 13.97 27.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.524 -0.762 . . . . 50.0 110.871 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.41 -19.53 62.3 Favored Glycine 0 C--O 1.219 -0.798 0 N-CA-C 114.958 0.743 . . . . 25.0 114.958 -171.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -87.29 3.84 45.15 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.842 0.829 . . . . 25.0 109.886 -172.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.34 -158.44 34.07 Favored Glycine 0 N--CA 1.421 -2.335 0 N-CA-C 106.402 -2.679 . . . . 50.0 106.402 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.74 165.43 35.34 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.817 -0.692 . . . . 50.0 109.86 -174.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.2 167.65 18.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.068 -0.969 . . . . 50.0 109.214 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -123.06 -174.17 2.88 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 105.491 -2.04 . . . . 50.0 105.491 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -52.37 -46.96 66.42 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 113.574 0.953 . . . . 50.0 113.574 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -55.11 -48.12 74.05 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.517 0.599 . . . . 50.0 111.064 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -73.02 -40.83 64.84 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-O 121.873 0.844 . . . . 50.0 108.861 -171.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -42.36 86.91 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.065 -0.971 . . . . 50.0 110.08 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.6 t -71.1 -37.38 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 122.027 -0.421 . . . . 50.0 111.306 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.15 -43.91 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 109.341 -0.614 . . . . 50.0 109.341 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.38 -36.28 71.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.547 -0.297 . . . . 50.0 111.532 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.5 t -62.65 -43.06 98.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.225 -0.657 . . . . 50.0 109.225 175.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.1 83.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.152 -0.343 . . . . 25.0 110.763 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.73 94.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 25.0 110.469 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.21 -34.48 72.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.127 0.489 . . . . 50.0 109.797 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.1 m -64.14 -42.35 96.83 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 122.21 -0.307 . . . . 25.0 111.22 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.3 m -73.52 -19.04 17.9 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 O-C-N 121.353 -0.842 . . . . 50.0 112.189 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.942 0 CA-C-O 121.954 0.883 . . . . 25.0 110.965 169.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 N--CA 1.468 0.427 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -63.98 -31.11 72.17 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.071 -0.652 . . . . 75.0 110.227 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tt -67.77 -43.13 80.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.849 0.833 . . . . 50.0 109.114 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.14 -35.58 76.53 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.76 -0.587 . . . . 50.0 111.072 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.7 p -73.31 -27.48 61.56 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.265 -0.574 . . . . 25.0 109.636 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.22 91.99 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 107.442 -1.318 . . . . 25.0 107.442 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.8 mmm -70.95 -32.43 69.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.982 0.734 . . . . 50.0 112.982 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.48 -27.94 66.59 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.603 -0.685 . . . . 50.0 109.177 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.6 m -63.78 -42.82 97.69 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.24 -37.07 85.79 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.706 -0.479 . . . . 50.0 109.706 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -63.69 -48.83 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 109.529 -0.545 . . . . 50.0 109.529 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -60.53 -45.66 93.02 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 112.407 0.521 . . . . 75.0 112.407 -177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 p -73.35 -34.85 44.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 119.235 -0.412 . . . . 50.0 111.424 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -59.04 -49.95 75.96 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.989 0.813 . . . . 50.0 108.843 172.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -62.28 -23.7 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.047 -0.979 . . . . 50.0 113.5 -175.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.89 97.57 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.355 -0.216 . . . . 25.0 111.464 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -91.54 -17.9 24.94 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.445 0.165 . . . . 25.0 111.445 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -56.94 154.81 8.9 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.26 0 N-CA-C 115.279 0.871 . . . . 25.0 115.279 176.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm . . . . . 0 CA--C 1.515 -0.392 0 N-CA-C 109.028 -0.73 . . . . 50.0 109.028 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 138.49 24.93 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 105.941 -1.874 . . . . 50.0 105.941 170.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -70.26 151.61 45.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 119.033 0.833 . . . . 50.0 109.983 -177.22 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -61.26 -42.21 98.23 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.53 0.937 . . . . 50.0 113.53 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -28.4 68.77 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.393 0.997 . . . . 50.0 110.72 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.18 -23.51 47.57 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.9 -0.778 . . . . 50.0 108.9 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 tp -70.34 -30.67 67.68 Favored 'General case' 0 C--O 1.219 -0.538 0 O-C-N 121.787 -0.57 . . . . 50.0 110.062 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -61.9 -34.46 76.09 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.731 -0.47 . . . . 50.0 109.731 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -65.71 -49.39 68.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.809 -0.811 . . . . 50.0 108.809 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.33 -45.35 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.366 0.603 . . . . 50.0 110.121 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.26 -29.78 71.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.136 0.493 . . . . 50.0 111.286 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -81.89 -22.39 36.88 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.984 0.364 . . . . 50.0 111.984 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -98.62 -54.37 3.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.692 -0.685 . . . . 25.0 111.485 -173.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -91.09 -26.89 18.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.181 0.515 . . . . 50.0 112.382 -173.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 tp -105.87 12.21 30.96 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.593 0.711 . . . . 50.0 109.312 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.08 -39.15 8.9 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.428 1.64 . . . . 50.0 115.428 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.99 -32.82 77.8 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.007 -1.092 . . . . 50.0 113.065 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -70.8 -27.69 64.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.508 -0.996 . . . . 50.0 109.258 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.0 mt -77.93 -37.48 47.59 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.642 0.589 . . . . 50.0 111.215 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.8 -34.49 78.28 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 122.074 0.94 . . . . 50.0 109.519 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.72 31.75 4.27 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 115.12 -0.945 . . . . 25.0 110.639 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -62.9 162.57 10.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.973 0.416 . . . . 50.0 109.92 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -136.31 -61.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.444 -0.344 . . . . 50.0 111.083 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -76.86 92.14 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.726 -0.842 . . . . 50.0 108.726 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.1 m -66.22 -27.34 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.014 -0.539 . . . . 50.0 111.429 -175.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.45 -43.46 49.47 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.508 -0.553 . . . . 50.0 109.508 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.06 -40.07 63.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.047 -0.408 . . . . 25.0 112.072 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.84 -39.67 85.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.874 -0.787 . . . . 50.0 108.874 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -30.23 36.74 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.03 0.443 . . . . 50.0 111.062 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -58.28 -36.65 73.6 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 110.121 -0.325 . . . . 25.0 110.121 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.62 -42.43 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.886 -0.783 . . . . 50.0 108.886 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.8 mmt -67.69 -49.43 62.76 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 112.548 0.573 . . . . 50.0 112.548 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -36.3 83.21 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.693 -0.403 . . . . 50.0 110.613 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.87 -41.39 99.36 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.677 -0.409 . . . . 50.0 110.353 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.04 -24.57 47.72 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 118.875 -1.13 . . . . 50.0 110.432 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.14 -26.51 67.74 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.142 0.423 . . . . 25.0 112.142 -176.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -102.38 -20.36 14.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.399 0.619 . . . . 50.0 110.826 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -98.17 12.31 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.808 -0.633 . . . . 50.0 109.619 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.91 -22.22 66.35 Favored Glycine 0 C--O 1.221 -0.665 0 N-CA-C 116.495 1.358 . . . . 25.0 116.495 -167.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -91.37 5.25 50.06 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 121.55 0.69 . . . . 25.0 111.039 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.5 -160.66 36.5 Favored Glycine 0 N--CA 1.417 -2.613 0 N-CA-C 103.376 -3.89 . . . . 50.0 103.376 171.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.1 OUTLIER -146.98 167.01 25.08 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 122.156 -0.614 . . . . 50.0 110.47 -174.264 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.8 m -134.94 167.08 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.15 -0.932 . . . . 50.0 109.84 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -122.03 -173.98 2.78 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 104.773 -2.306 . . . . 50.0 104.773 172.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -52.4 -47.71 66.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.701 1.0 . . . . 50.0 113.701 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -56.62 -47.18 80.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.75 0.705 . . . . 50.0 111.323 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.71 -44.12 74.58 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 122.272 1.034 . . . . 50.0 108.648 -173.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -39.09 89.07 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.995 -1.002 . . . . 50.0 110.436 -176.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.9 t -71.46 -36.58 61.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 122.251 -0.281 . . . . 50.0 110.484 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 59.7 t -58.34 -45.15 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.184 -0.673 . . . . 50.0 109.184 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 48.1 mt -69.45 -37.31 77.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.75 0.309 . . . . 50.0 111.433 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.0 t -63.4 -43.11 98.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.752 -0.462 . . . . 50.0 109.752 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.0 86.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.041 -0.412 . . . . 25.0 110.547 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.2 96.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.311 0.577 . . . . 25.0 110.392 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.04 -34.82 75.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.682 0.753 . . . . 50.0 109.711 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 44.6 m -64.93 -43.6 92.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.111 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -70.81 -21.96 22.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 N-CA-C 113.452 0.908 . . . . 50.0 113.452 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.668 0 CA-C-O 122.133 0.968 . . . . 25.0 108.727 171.727 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -58.82 -45.22 90.46 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.482 0.658 . . . . 75.0 111.634 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.67 -39.73 88.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.047 0.927 . . . . 50.0 109.308 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -67.32 -36.38 81.34 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 121.448 -0.782 . . . . 50.0 111.205 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 p -71.52 -28.13 63.68 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.504 -0.478 . . . . 25.0 109.803 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.41 -46.91 84.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.9 mmm -71.87 -32.11 67.13 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.106 0.78 . . . . 50.0 113.106 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -70.67 -25.54 63.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.173 -0.677 . . . . 50.0 109.173 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -66.01 -43.29 88.1 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 122.046 -0.409 . . . . 25.0 110.179 171.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.89 -36.09 76.21 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.835 -0.802 . . . . 50.0 108.835 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.83 -46.09 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.678 -0.49 . . . . 50.0 109.678 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.87 -48.5 81.17 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.189 0.518 . . . . 50.0 110.801 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.4 t -63.35 -43.66 98.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.473 -0.785 . . . . 50.0 111.556 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.62 -49.6 75.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.385 0.612 . . . . 50.0 109.907 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -59.1 -31.3 68.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.462 -0.79 . . . . 50.0 112.06 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.67 85.24 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.137 0.421 . . . . 25.0 112.137 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -90.39 -20.22 23.08 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.347 0.499 . . . . 25.0 112.347 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 114.121 1.156 . . . . 25.0 114.121 -176.602 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 109.909 -0.404 . . . . 50.0 109.909 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -119.84 160.19 23.12 Favored 'General case' 0 CA--C 1.509 -0.599 0 C-N-CA 123.891 0.876 . . . . 50.0 111.397 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 tp -142.71 128.64 19.52 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.782 -1.562 . . . . 50.0 106.782 170.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -64.27 146.87 53.64 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.816 -0.809 . . . . 50.0 108.816 -178.601 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -60.58 -41.33 94.42 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 113.396 0.887 . . . . 50.0 113.396 -174.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -28.46 69.42 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.821 -1.175 . . . . 50.0 110.251 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -81.59 -24.9 36.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.504 0.669 . . . . 50.0 109.525 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 tp -67.2 -37.02 82.94 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.385 -0.598 . . . . 50.0 109.385 173.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -60.43 -33.58 72.73 Favored 'General case' 0 C--O 1.215 -0.757 0 C-N-CA 120.403 -0.519 . . . . 50.0 110.487 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -63.5 -48.16 78.74 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.864 -0.791 . . . . 50.0 108.864 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.31 -46.55 88.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.457 0.646 . . . . 50.0 109.311 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.35 -32.08 72.81 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.789 -0.642 . . . . 50.0 111.576 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -81.79 -22.82 36.93 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 122.965 0.506 . . . . 50.0 110.9 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.4 m -90.56 -51.59 5.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.88 -0.6 . . . . 25.0 111.896 -176.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -93.8 -42.93 8.85 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.438 0.532 . . . . 50.0 112.438 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 tp -86.58 10.18 16.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.649 0.738 . . . . 50.0 109.899 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -38.13 21.08 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 115.303 1.594 . . . . 50.0 115.303 174.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.18 -34.17 61.48 Favored Glycine 0 C--O 1.227 -0.305 0 C-N-CA 120.479 -0.867 . . . . 50.0 111.389 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -71.84 -30.45 65.49 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.695 -0.886 . . . . 50.0 109.086 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -70.43 -41.03 73.44 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 120.67 0.272 . . . . 50.0 110.594 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -66.51 -35.37 80.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.656 0.741 . . . . 50.0 110.781 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.65 42.22 1.27 Allowed 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.713 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -71.91 156.02 39.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.128 -0.942 . . . . 50.0 108.718 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -127.88 -53.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.406 0.622 . . . . 50.0 109.624 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.42 84.21 7.73 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.552 0.691 . . . . 50.0 109.48 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.7 m -61.63 -25.96 38.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.277 -0.874 . . . . 50.0 111.77 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.425 ' CG ' ' HZ3' ' A' ' 56' ' ' LYS . 34.3 t70 -69.47 -39.71 77.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.219 0.533 . . . . 50.0 110.771 177.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.01 -37.81 25.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 p -64.71 -38.33 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 108.946 -0.761 . . . . 50.0 108.946 -176.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -79.24 -27.72 42.41 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.556 -0.747 . . . . 50.0 110.659 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 2.8 ttmm -60.29 -38.41 83.53 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.507 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.52 -43.13 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.89 0.852 . . . . 50.0 108.759 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.2 mmt -68.2 -49.55 60.06 Favored 'General case' 0 CA--C 1.49 -1.328 0 CA-C-N 115.599 -0.728 . . . . 50.0 112.49 -175.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -35.7 81.39 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.981 -0.288 . . . . 50.0 110.374 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -60.39 -48.12 83.13 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.133 -0.691 . . . . 50.0 109.133 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.03 -21.49 46.82 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 119.237 -0.985 . . . . 50.0 110.905 -174.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.59 -27.48 67.76 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.951 0.405 . . . . 25.0 111.433 -177.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -107.1 -22.97 12.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.332 0.587 . . . . 50.0 111.588 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -96.64 16.25 19.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.865 0.84 . . . . 50.0 109.877 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.43 -18.3 63.12 Favored Glycine 0 C--O 1.216 -1.02 0 N-CA-C 115.701 1.04 . . . . 25.0 115.701 -170.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.96 5.43 50.12 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.759 0.79 . . . . 25.0 110.956 -169.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.35 -157.14 33.37 Favored Glycine 0 N--CA 1.42 -2.408 0 N-CA-C 104.88 -3.288 . . . . 50.0 104.88 173.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.0 pt-20 -148.41 164.29 34.57 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.1 -0.704 . . . . 50.0 109.1 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.49 165.48 24.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.157 -1.053 . . . . 50.0 108.157 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -115.39 -174.12 2.45 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.627 -1.62 . . . . 50.0 106.627 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.53 -47.54 66.63 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.053 0.76 . . . . 50.0 113.053 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -54.75 -47.07 74.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 118.311 0.505 . . . . 50.0 110.906 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.69 -41.65 62.35 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.896 0.855 . . . . 50.0 109.267 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.1 -40.61 73.96 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.318 -0.855 . . . . 50.0 109.914 178.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 77.1 t -72.15 -37.21 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 122.239 -0.288 . . . . 50.0 111.069 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.5 t -57.82 -46.78 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 121.477 0.656 . . . . 50.0 109.262 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.68 -37.12 76.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.911 -0.586 . . . . 50.0 110.949 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.9 t -63.44 -43.79 98.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.614 -0.513 . . . . 50.0 109.614 175.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.38 85.82 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.065 -0.397 . . . . 25.0 110.665 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.16 98.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.33 0.586 . . . . 25.0 110.35 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 tt -68.56 -37.26 79.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 50.0 109.901 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.241 -0.436 . . . . 25.0 111.414 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.32 -26.8 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 119.167 0.894 . . . . 50.0 112.045 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.277 0 CA-C-O 121.789 0.804 . . . . 25.0 111.437 174.784 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 107.95 -1.13 . . . . 25.0 107.95 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.44 -43.69 96.58 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.354 0.597 . . . . 75.0 110.794 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.68 -42.24 91.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.827 0.822 . . . . 50.0 109.607 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.58 -34.8 77.77 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.348 -0.845 . . . . 50.0 111.712 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.8 p -71.3 -28.24 63.97 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.186 -0.606 . . . . 25.0 109.841 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.79 83.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 175.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -71.12 -32.98 69.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.069 0.766 . . . . 50.0 113.069 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -69.62 -26.24 64.33 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 109.381 -0.6 . . . . 50.0 109.381 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 58.5 m -65.64 -43.58 89.01 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 122.02 -0.425 . . . . 25.0 110.298 171.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.3 -36.06 77.01 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.141 -0.688 . . . . 50.0 109.141 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.52 -46.11 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 109.767 -0.457 . . . . 50.0 109.767 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -58.71 -50.77 72.67 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.149 0.5 . . . . 75.0 110.716 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.64 -43.01 98.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.427 -0.806 . . . . 50.0 111.455 -178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -62.07 -48.86 78.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.827 -0.545 . . . . 50.0 110.627 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -63.45 -28.06 69.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 50.0 111.86 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.51 97.41 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.928 0.344 . . . . 25.0 111.928 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -92.38 -16.85 25.43 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.784 0.326 . . . . 25.0 111.269 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.2 m -63.56 150.77 43.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.241 0.543 . . . . 25.0 110.725 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.587 0 C-N-CA 120.95 -0.643 . . . . 25.0 113.994 -178.621 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm . . . . . 0 CA--C 1.511 -0.549 0 N-CA-C 108.104 -1.073 . . . . 50.0 108.104 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.71 130.33 34.04 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 106.999 -1.482 . . . . 50.0 106.999 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.53 150.42 48.41 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.04 -0.355 . . . . 50.0 110.04 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -66.9 -39.35 87.4 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 113.461 0.911 . . . . 50.0 113.461 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -29.68 70.55 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.714 1.143 . . . . 50.0 109.677 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.91 -24.26 38.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.701 -0.681 . . . . 50.0 110.322 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 tp -65.51 -34.43 78.25 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.753 -0.592 . . . . 50.0 109.635 175.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -61.85 -32.55 72.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.291 -0.413 . . . . 50.0 110.593 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -65.48 -48.05 73.95 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.41 -0.959 . . . . 50.0 108.41 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.53 -46.24 87.21 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.135 -0.691 . . . . 50.0 109.135 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 mt -62.45 -31.86 72.64 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.641 -0.708 . . . . 50.0 112.149 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.89 -22.61 36.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.944 0.402 . . . . 50.0 111.165 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.5 m -91.12 -57.26 2.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.205 -175.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -84.21 -44.51 13.85 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.276 0.56 . . . . 50.0 111.568 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tp -88.69 11.9 16.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.989 -0.551 . . . . 50.0 111.984 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -35.58 9.1 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.656 1.354 . . . . 50.0 114.656 174.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.76 -32.61 63.87 Favored Glycine 0 C--O 1.226 -0.386 0 C-N-CA 120.625 -0.797 . . . . 50.0 111.834 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -72.47 -28.72 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.664 -0.904 . . . . 50.0 108.745 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.08 -40.61 71.47 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 110.02 -0.363 . . . . 50.0 110.02 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -66.89 -30.73 70.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.717 0.77 . . . . 50.0 110.287 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.29 19.49 15.34 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.788 -0.642 . . . . 25.0 110.87 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -59.61 149.84 29.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.557 0.694 . . . . 50.0 110.444 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -132.51 -43.55 0.92 Allowed 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.811 -0.811 . . . . 50.0 108.811 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -83.76 89.11 7.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.475 0.655 . . . . 50.0 109.436 175.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -67.23 -23.43 30.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.757 -0.656 . . . . 50.0 111.168 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.463 ' CG ' ' HZ3' ' B' ' 56' ' ' LYS . 32.3 t70 -77.3 -40.88 42.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.917 0.389 . . . . 50.0 110.053 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.15 -37.53 38.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.63 -38.3 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.849 -0.797 . . . . 50.0 108.849 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -80.17 -28.36 38.8 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.562 -0.745 . . . . 50.0 110.169 -176.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.463 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP . 2.1 ttmm -59.58 -38.73 81.98 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 122.186 -0.321 . . . . 25.0 111.706 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.3 -42.78 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.802 0.81 . . . . 50.0 109.141 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.9 mmt -68.18 -46.6 70.22 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.592 -0.731 . . . . 50.0 111.75 -176.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -37.82 84.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.294 -0.412 . . . . 50.0 110.648 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -61.28 -46.08 91.83 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 109.097 -0.705 . . . . 50.0 109.097 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.51 -26.18 54.98 Favored 'General case' 0 C--O 1.201 -1.483 0 C-N-CA 118.614 -1.234 . . . . 50.0 108.9 -171.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.05 -20.86 66.31 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -100.66 -14.03 18.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.526 0.679 . . . . 50.0 110.513 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -112.67 15.15 20.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.454 -0.794 . . . . 50.0 110.417 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.83 -22.33 62.04 Favored Glycine 0 C--O 1.222 -0.612 0 N-CA-C 116.276 1.27 . . . . 25.0 116.276 -166.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -94.7 6.31 49.28 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 121.755 0.788 . . . . 25.0 111.18 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.17 -163.56 38.0 Favored Glycine 0 N--CA 1.409 -3.166 1 N-CA-C 102.237 -4.345 . . . . 50.0 102.237 170.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -149.39 162.32 40.33 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 114.91 -0.645 . . . . 50.0 109.315 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.93 167.44 26.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.074 -0.967 . . . . 50.0 108.938 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -117.95 -174.22 2.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.738 -1.949 . . . . 50.0 105.738 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -52.38 -48.28 65.71 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.565 0.58 . . . . 50.0 112.565 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -53.4 -49.15 67.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.968 0.349 . . . . 50.0 110.979 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -73.46 -41.96 62.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.512 0.673 . . . . 50.0 110.033 -173.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -39.95 74.8 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.849 -0.614 . . . . 50.0 110.304 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.7 t -71.33 -37.64 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 122.392 -0.192 . . . . 50.0 110.773 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.5 -44.67 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.365 0.602 . . . . 50.0 109.888 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.63 -36.3 73.37 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.284 0.564 . . . . 50.0 110.549 -177.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.93 -43.81 99.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.009 -0.737 . . . . 50.0 109.009 174.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.46 83.61 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.963 -0.46 . . . . 25.0 111.36 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.68 98.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.29 0.566 . . . . 25.0 110.294 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -35.1 73.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.347 0.594 . . . . 50.0 109.723 177.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.1 m -60.42 -45.22 94.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.264 -0.425 . . . . 25.0 110.772 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.2 m -72.78 -26.14 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 120.943 -1.098 . . . . 50.0 112.015 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 122.095 0.95 . . . . 25.0 109.614 174.126 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.239 0.532 0 N-CA-C 110.548 -0.167 . . . . 25.0 110.548 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -61.37 -44.46 97.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.953 0.406 . . . . 75.0 111.001 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tt -66.96 -41.27 87.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.884 0.849 . . . . 50.0 110.379 177.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -63.91 -36.8 85.12 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.571 -0.706 . . . . 50.0 111.373 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.2 p -74.61 -29.83 61.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.614 -0.435 . . . . 25.0 110.45 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.92 95.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.4 mmm -72.82 -32.12 65.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.018 0.747 . . . . 50.0 113.018 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -68.21 -29.2 67.99 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.691 -0.855 . . . . 50.0 108.691 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.2 m -62.59 -44.41 96.39 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.923 0.392 . . . . 25.0 110.69 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.24 -36.22 79.4 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.916 -0.49 . . . . 50.0 110.254 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.5 mt -65.47 -46.06 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 109.133 -0.692 . . . . 50.0 109.133 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -58.31 -45.77 87.41 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.271 0.557 . . . . 50.0 111.528 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.1 t -65.69 -41.76 91.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 115.818 -0.628 . . . . 50.0 111.816 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -61.51 -43.97 97.91 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.783 -0.573 . . . . 50.0 109.904 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -69.46 -19.16 63.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.412 0.523 . . . . 50.0 112.412 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.62 65.75 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 111.932 0.345 . . . . 25.0 111.932 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -116.43 -12.51 11.04 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.8 p . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 121.449 0.642 . . . . 25.0 112.167 -175.78 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 120.662 0.268 . . . . 50.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -125.02 149.15 48.05 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.148 0.499 . . . . 50.0 110.167 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.7 tp -140.89 135.67 31.54 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 107.176 -1.416 . . . . 50.0 107.176 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.34 152.7 44.45 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.977 -0.289 . . . . 50.0 110.943 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -64.34 -43.08 95.74 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.193 0.812 . . . . 50.0 113.193 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -31.65 72.97 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.105 0.866 . . . . 50.0 110.079 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -76.68 -27.4 55.55 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.541 -0.754 . . . . 50.0 109.769 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 tp -67.38 -32.95 74.21 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.82 -0.55 . . . . 50.0 110.375 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -58.54 -33.91 70.41 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 120.656 -0.418 . . . . 50.0 110.561 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.03 -48.43 76.36 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.498 -0.556 . . . . 50.0 109.498 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt -59.44 -46.16 89.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.047 -0.723 . . . . 50.0 109.047 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.98 -31.89 73.11 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 121.175 0.512 . . . . 50.0 111.736 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -81.98 -22.18 36.72 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 122.038 -0.414 . . . . 50.0 111.372 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.7 m -97.11 -59.54 1.77 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.826 -0.625 . . . . 25.0 112.313 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -84.57 -28.96 26.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.538 0.57 . . . . 50.0 112.538 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 tp -98.55 7.23 46.41 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.987 -0.746 . . . . 50.0 108.987 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -42.88 -41.67 3.39 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 116.173 1.916 . . . . 50.0 116.173 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.58 -30.19 76.02 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 119.915 -1.136 . . . . 50.0 112.786 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -76.83 -23.48 52.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.604 -0.939 . . . . 50.0 109.955 176.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.04 -35.48 49.65 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.298 -0.63 . . . . 50.0 109.298 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -67.12 -30.79 70.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.724 0.773 . . . . 50.0 109.78 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.97 21.42 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.551 -0.75 . . . . 25.0 111.282 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -60.31 151.54 27.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.964 0.411 . . . . 50.0 110.606 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -132.45 -53.95 0.95 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.116 0.484 . . . . 50.0 110.598 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -80.04 84.05 5.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.612 -0.884 . . . . 50.0 108.612 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.2 m -63.52 -29.95 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.29 -0.414 . . . . 50.0 111.766 -175.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.56 -36.83 83.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.257 0.551 . . . . 50.0 109.651 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.21 -37.63 25.75 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.44 -39.9 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 109.539 -0.541 . . . . 50.0 109.539 -175.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -80.09 -26.47 39.54 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.14 0.495 . . . . 50.0 110.174 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -55.09 -47.26 75.17 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.381 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.14 -39.92 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.006 -0.739 . . . . 50.0 109.006 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.66 -50.76 56.22 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 115.839 -0.619 . . . . 50.0 111.97 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -37.29 85.27 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.627 -0.429 . . . . 50.0 110.706 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.61 -40.93 98.51 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.667 -0.413 . . . . 50.0 110.237 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.69 -24.03 45.29 Favored 'General case' 0 C--O 1.205 -1.254 0 C-N-CA 119.21 -0.996 . . . . 50.0 110.552 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.43 -26.12 68.33 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.111 -0.368 . . . . 25.0 111.625 -177.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -100.04 -24.87 14.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.53 0.681 . . . . 50.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -96.92 15.8 21.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.817 -0.628 . . . . 50.0 110.016 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.04 -20.88 69.3 Favored Glycine 0 C--O 1.218 -0.872 0 N-CA-C 115.915 1.126 . . . . 25.0 115.915 -167.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.0 7.68 36.35 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 122.037 0.922 . . . . 25.0 110.428 -172.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.75 -159.26 35.27 Favored Glycine 0 N--CA 1.417 -2.584 0 N-CA-C 104.215 -3.554 . . . . 50.0 104.215 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -151.54 166.38 31.35 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 122.132 -0.628 . . . . 50.0 110.509 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.34 171.48 15.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.963 -1.017 . . . . 50.0 110.355 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -126.2 -174.08 3.02 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.934 -2.247 . . . . 50.0 104.934 174.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -52.86 -47.7 67.6 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.446 0.906 . . . . 50.0 113.446 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -54.56 -47.86 72.74 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.497 0.589 . . . . 50.0 110.917 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -71.41 -41.08 70.0 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.785 0.802 . . . . 50.0 109.445 -173.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -39.88 86.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.427 -0.806 . . . . 50.0 110.265 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.6 t -71.39 -36.73 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 122.275 -0.266 . . . . 50.0 110.527 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.9 t -59.38 -43.98 91.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.468 -0.567 . . . . 50.0 109.468 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -70.06 -37.24 75.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.887 0.375 . . . . 50.0 111.236 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.9 t -62.7 -42.88 97.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.246 -0.65 . . . . 50.0 109.246 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.12 81.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.051 -0.406 . . . . 25.0 110.706 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.5 94.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.454 0.645 . . . . 25.0 110.099 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.18 -35.92 71.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.382 0.61 . . . . 50.0 109.968 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.4 m -60.85 -46.98 88.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.975 -0.453 . . . . 25.0 109.923 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.2 m -67.07 -19.03 25.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 114.011 1.115 . . . . 50.0 114.011 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.94 0 CA-C-O 122.026 0.917 . . . . 25.0 111.801 168.632 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 C--O 1.242 0.687 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.02 -29.87 70.81 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 120.423 -0.511 . . . . 75.0 109.763 175.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.45 -43.76 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.615 0.722 . . . . 50.0 109.899 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.19 -41.06 97.26 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.451 -0.781 . . . . 50.0 110.314 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 35.4 p -72.71 -28.86 62.92 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.614 -0.434 . . . . 25.0 110.32 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.57 89.44 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 174.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.5 mmm -71.83 -30.22 65.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.012 0.745 . . . . 50.0 113.012 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.3 -29.05 66.82 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.801 -0.814 . . . . 50.0 108.801 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -64.47 -42.72 95.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.343 -0.389 . . . . 25.0 110.196 173.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.77 -34.52 74.6 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.505 -0.554 . . . . 50.0 109.505 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -67.67 -44.74 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 109.472 -0.566 . . . . 50.0 109.472 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -60.34 -49.03 79.21 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.262 0.553 . . . . 75.0 110.442 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 74.4 t -63.13 -43.32 98.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.42 -0.809 . . . . 50.0 111.205 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.52 -42.86 88.65 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 121.739 -0.6 . . . . 50.0 109.415 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -70.66 -14.16 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.829 1.048 . . . . 50.0 113.829 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.04 77.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.77 -0.372 . . . . 25.0 110.478 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -107.26 -16.17 14.47 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.8 p -59.42 154.23 17.45 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.678 0.622 . . . . 25.0 112.678 -176.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.272 0 N-CA-C 114.978 0.751 . . . . 25.0 114.978 176.617 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 121.059 0.457 . . . . 50.0 111.89 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.7 tp -146.81 132.11 18.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.638 -0.875 . . . . 50.0 108.638 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.51 147.15 52.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.084 0.402 . . . . 50.0 110.322 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -62.11 -43.33 99.06 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.715 1.005 . . . . 50.0 113.715 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -29.41 70.42 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.643 0.656 . . . . 50.0 110.242 -178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.01 -24.94 47.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.418 -0.81 . . . . 50.0 109.96 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 35.1 tp -71.05 -26.15 62.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.738 -0.601 . . . . 50.0 110.595 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -63.18 -33.54 75.71 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 119.839 -0.744 . . . . 50.0 109.633 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.64 -45.13 95.25 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.353 -0.61 . . . . 50.0 109.353 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.77 -43.88 95.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.909 -0.587 . . . . 50.0 110.157 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mp -65.19 -27.38 68.66 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.68 0.752 . . . . 50.0 111.555 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.89 -21.49 37.4 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 123.551 0.74 . . . . 50.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 32.8 m -105.77 -60.72 1.6 Allowed 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.43 -20.7 31.39 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.909 0.861 . . . . 50.0 112.327 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.9 tp -110.06 10.26 24.08 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.671 -1.15 . . . . 50.0 109.682 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.69 -37.06 58.32 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.149 1.537 . . . . 50.0 115.149 177.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.69 -30.36 70.73 Favored Glycine 0 C--O 1.221 -0.673 0 O-C-N 121.461 -0.774 . . . . 50.0 111.424 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -79.18 -27.94 42.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.805 -0.821 . . . . 50.0 108.891 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 20.9 tp -68.53 -41.35 80.03 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 121.305 0.574 . . . . 50.0 109.467 177.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.61 -30.86 70.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.691 0.757 . . . . 50.0 110.914 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.12 30.49 2.44 Favored 'General case' 0 C--O 1.246 0.87 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.94 151.35 47.25 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.813 -1.18 . . . . 50.0 107.813 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -133.11 -52.18 0.9 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.158 -1.423 . . . . 50.0 107.158 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -82.02 91.94 6.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.749 -1.114 . . . . 50.0 109.789 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.2 m -66.43 -24.15 32.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.898 -0.592 . . . . 50.0 111.637 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.443 ' CG ' ' HZ2' ' B' ' 56' ' ' LYS . 33.9 t70 -76.71 -40.65 48.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.106 0.479 . . . . 50.0 110.221 179.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.84 -38.61 37.53 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.36 -37.56 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.35 -27.32 38.32 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.79 -0.641 . . . . 50.0 110.662 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.443 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 2.0 ttmm -58.8 -37.19 75.79 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 121.033 -0.267 . . . . 25.0 111.246 178.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.04 -43.73 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.89 0.853 . . . . 50.0 109.441 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.7 mmt -70.63 -45.87 64.4 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.39 -0.823 . . . . 50.0 111.844 -175.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -34.95 79.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.491 -0.189 . . . . 50.0 110.491 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -59.89 -48.36 82.01 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.824 -0.806 . . . . 50.0 108.824 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.35 -18.48 48.95 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 119.232 -0.987 . . . . 50.0 111.297 -174.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.43 -29.99 68.16 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.998 0.428 . . . . 25.0 111.271 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -107.03 -22.65 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.362 0.601 . . . . 50.0 111.788 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -97.28 9.98 40.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.789 0.804 . . . . 50.0 110.968 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.37 -21.73 60.28 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 116.877 1.511 . . . . 25.0 116.877 -169.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -91.32 2.61 56.26 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.637 0.732 . . . . 25.0 110.847 -170.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.59 -159.84 35.48 Favored Glycine 0 N--CA 1.421 -2.348 0 N-CA-C 104.591 -3.404 . . . . 50.0 104.591 173.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.08 158.15 43.86 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.401 -0.592 . . . . 50.0 109.401 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -135.93 167.96 23.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.495 -0.775 . . . . 50.0 109.609 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -117.97 -174.09 2.57 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.062 -1.459 . . . . 50.0 107.062 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -52.3 -48.04 65.57 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 113.585 0.957 . . . . 50.0 113.585 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -55.82 -47.53 77.04 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.523 0.601 . . . . 50.0 110.892 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -72.32 -38.42 68.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.028 0.918 . . . . 50.0 109.946 -173.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -41.09 94.64 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.365 -0.834 . . . . 50.0 109.76 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 73.7 t -71.33 -35.44 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 122.359 -0.213 . . . . 50.0 110.584 -178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.25 -45.82 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 109.376 -0.602 . . . . 50.0 109.376 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.4 mt -69.86 -36.48 75.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.087 0.47 . . . . 50.0 111.092 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 t -63.68 -44.75 98.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.876 -0.416 . . . . 50.0 109.876 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.7 88.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.142 -0.349 . . . . 25.0 110.165 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.91 98.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.333 0.587 . . . . 25.0 110.659 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.6 -33.45 72.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.467 0.651 . . . . 50.0 110.114 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 48.5 m -66.83 -43.41 83.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.191 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.72 -23.88 26.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 O-C-N 121.006 -1.059 . . . . 50.0 111.58 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.805 0 O-C-N 121.632 -0.668 . . . . 25.0 110.798 171.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.232 0.15 0 N-CA-C 107.194 -1.41 . . . . 25.0 107.194 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.91 -38.1 81.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.316 0.579 . . . . 75.0 110.783 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.54 -40.67 96.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.755 0.788 . . . . 50.0 110.599 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -66.36 -38.04 86.66 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.335 -0.853 . . . . 50.0 111.525 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 p -72.16 -30.21 64.77 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.697 -0.401 . . . . 25.0 109.952 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.47 96.69 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.5 mmm -71.45 -31.04 66.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.356 0.502 . . . . 50.0 112.356 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -69.17 -28.35 66.34 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 119.971 -0.692 . . . . 50.0 109.981 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -61.35 -44.03 97.87 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 122.05 -0.406 . . . . 25.0 110.079 172.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.66 -36.17 82.95 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.562 -0.532 . . . . 50.0 109.562 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.41 -48.76 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 109.305 -0.628 . . . . 50.0 109.305 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -57.29 -51.9 67.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.458 0.17 . . . . 50.0 110.771 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.06 -34.09 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-N 115.915 -0.584 . . . . 50.0 112.438 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.52 -49.25 78.5 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.402 -0.811 . . . . 50.0 109.797 172.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -72.85 -14.13 61.43 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.191 0.811 . . . . 50.0 113.191 -176.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.21 -48.01 69.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.847 -0.427 . . . . 25.0 109.847 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -83.78 -20.33 33.49 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.541 -0.299 . . . . 25.0 111.198 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 CA--C 1.494 -1.191 0 CA-C-O 122.301 1.048 . . . . 25.0 109.03 178.428 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 107.103 -1.443 . . . . 50.0 107.103 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -125.87 154.88 42.08 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.201 -1.407 . . . . 50.0 107.201 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.11 136.15 51.72 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 104.585 -2.376 . . . . 50.0 104.585 172.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.66 151.98 45.25 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 119.469 -0.892 . . . . 50.0 109.494 176.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -63.3 -40.25 96.83 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 118.562 0.619 . . . . 50.0 112.594 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -29.32 69.84 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.631 1.105 . . . . 50.0 110.707 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -80.27 -25.1 39.64 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.798 -0.637 . . . . 50.0 110.169 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.6 tp -63.61 -35.06 79.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.173 0.511 . . . . 50.0 110.109 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -58.91 -36.14 74.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.903 -0.589 . . . . 50.0 110.549 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.31 -46.62 82.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.315 -0.624 . . . . 50.0 109.315 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.06 -46.41 89.64 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 109.37 -0.604 . . . . 50.0 109.37 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -62.45 -32.04 72.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.368 0.604 . . . . 50.0 111.132 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -81.73 -19.62 41.03 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 122.862 0.465 . . . . 50.0 111.869 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.7 m -102.15 -52.3 3.18 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.895 0.702 . . . . 25.0 112.895 -176.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -97.26 -16.63 20.25 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.684 0.624 . . . . 50.0 112.684 -172.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.8 tp -115.73 11.0 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.137 -1.061 . . . . 50.0 108.137 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.87 -38.41 22.39 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.666 1.728 . . . . 50.0 115.666 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.34 -29.53 68.2 Favored Glycine 0 C--O 1.226 -0.37 0 O-C-N 121.682 -0.636 . . . . 50.0 112.182 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -77.34 -29.4 53.44 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.27 -1.011 . . . . 50.0 108.27 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -40.33 77.27 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 109.966 -0.383 . . . . 50.0 109.966 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.33 -30.55 70.97 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.677 0.751 . . . . 50.0 111.049 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.45 24.77 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.382 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -62.86 151.62 38.59 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.424 0.631 . . . . 50.0 110.974 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -124.15 -48.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -86.99 87.07 7.37 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.103 -0.702 . . . . 50.0 109.103 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.54 -29.91 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.648 -0.706 . . . . 50.0 110.728 -177.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.13 -39.11 82.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.264 0.554 . . . . 50.0 109.982 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.96 -41.52 25.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.427 0.528 . . . . 25.0 112.427 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.79 -39.79 86.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.874 -0.788 . . . . 50.0 108.874 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -80.33 -28.25 38.19 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.158 -0.473 . . . . 50.0 111.207 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -58.3 -40.55 82.28 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.557 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.83 -42.55 86.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.313 -0.625 . . . . 50.0 109.313 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.2 mmt -67.08 -49.28 65.57 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 116.229 -0.442 . . . . 50.0 112.103 -176.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -36.39 81.38 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.576 -0.449 . . . . 50.0 110.524 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.93 -40.97 97.68 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.456 -0.498 . . . . 50.0 110.248 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.3 -24.61 50.92 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 119.069 -1.052 . . . . 50.0 109.891 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.18 -26.62 67.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.951 0.405 . . . . 25.0 111.92 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -104.07 -11.27 17.45 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.406 0.622 . . . . 50.0 110.973 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -111.83 15.55 20.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.717 -0.674 . . . . 50.0 110.128 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.56 -20.84 64.15 Favored Glycine 0 C--O 1.223 -0.586 0 N-CA-C 116.44 1.336 . . . . 25.0 116.44 -168.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -92.84 9.06 36.89 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.884 0.849 . . . . 25.0 110.783 -173.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.82 -165.75 34.42 Favored Glycine 0 N--CA 1.414 -2.767 1 N-CA-C 102.707 -4.157 . . . . 50.0 102.707 170.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -143.79 168.18 20.54 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 122.465 -0.432 . . . . 50.0 109.946 -175.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.41 162.2 33.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 108.802 -0.814 . . . . 50.0 108.802 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -113.43 -174.26 2.43 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.636 -1.616 . . . . 50.0 106.636 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -53.72 -46.8 70.93 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 113.169 0.803 . . . . 50.0 113.169 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -56.71 -47.68 79.39 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.633 0.651 . . . . 50.0 111.048 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.03 -43.36 74.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.353 1.073 . . . . 50.0 109.193 -173.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -58.8 -41.72 87.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.773 -1.103 . . . . 50.0 109.86 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 73.8 t -71.34 -36.66 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 122.189 -0.319 . . . . 50.0 111.087 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.75 -44.76 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 109.063 -0.717 . . . . 50.0 109.063 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.8 mt -72.89 -35.72 67.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.087 -0.506 . . . . 50.0 111.664 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.89 -43.68 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.152 -0.685 . . . . 50.0 109.152 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.98 84.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.118 -0.363 . . . . 25.0 110.634 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.47 -43.7 96.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.17 0.51 . . . . 25.0 110.449 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.63 -36.28 80.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.359 0.599 . . . . 50.0 109.561 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 79.2 m -61.43 -45.15 95.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.117 -0.492 . . . . 25.0 111.207 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.4 m -72.92 -28.27 26.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 O-C-N 120.861 -1.15 . . . . 50.0 111.575 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.342 0 CA-C-O 121.25 0.548 . . . . 25.0 110.907 175.587 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.232 0.173 0 N-CA-C 108.388 -0.967 . . . . 25.0 108.388 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.07 -33.87 76.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.354 0.597 . . . . 75.0 109.67 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tt -63.66 -41.71 98.16 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.772 0.796 . . . . 50.0 110.561 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.44 -38.2 84.16 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.449 -0.782 . . . . 50.0 110.785 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 5.6 p -72.99 -25.78 61.11 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.629 -0.428 . . . . 25.0 110.595 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.84 96.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.0 mmm -70.6 -31.44 68.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.263 0.468 . . . . 50.0 112.263 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.27 -26.9 64.04 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.4 -0.813 . . . . 50.0 109.805 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 34.0 m -63.11 -43.88 97.22 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.11 -37.5 85.32 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.13 -47.3 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 109.433 -0.58 . . . . 50.0 109.433 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -58.74 -48.06 82.5 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 121.176 -0.21 . . . . 75.0 110.952 -177.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.28 -46.45 96.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.932 0.396 . . . . 50.0 110.475 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -61.95 -47.83 83.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.434 0.635 . . . . 50.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -65.93 -26.84 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 50.0 112.478 -175.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.54 94.41 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.812 0.339 . . . . 25.0 111.208 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -88.38 -20.92 24.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.728 -0.214 . . . . 25.0 111.358 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -62.1 157.89 17.98 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.24 1.2 . . . . 25.0 114.24 -175.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.349 0 CA-C-N 115.181 -0.918 . . . . 25.0 113.419 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp . . . . . 0 C--O 1.247 0.958 0 CA-C-O 122.27 1.033 . . . . 50.0 108.34 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.88 133.43 35.77 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 113.22 -1.809 . . . . 50.0 106.489 174.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.74 153.03 44.31 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.614 -0.679 . . . . 50.0 110.69 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -64.44 -41.54 96.49 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 113.144 0.794 . . . . 50.0 113.144 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -32.07 73.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.948 1.249 . . . . 50.0 110.458 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -72.86 -29.39 63.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.318 -0.855 . . . . 50.0 109.717 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 14.9 tp -64.97 -30.49 71.48 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.858 -0.61 . . . . 50.0 111.559 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -62.83 -37.11 85.49 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 120.436 -0.506 . . . . 50.0 110.038 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.58 -45.13 88.35 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.672 . . . . 50.0 109.184 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.86 -46.67 88.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.02 -0.536 . . . . 50.0 109.955 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 64.5 mt -64.39 -29.08 70.15 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.417 0.627 . . . . 50.0 111.815 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -81.81 -17.74 46.46 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 123.472 0.709 . . . . 50.0 110.981 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -102.4 -59.19 1.74 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.737 -0.665 . . . . 25.0 112.363 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -86.03 -20.49 28.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.904 0.705 . . . . 50.0 112.904 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.5 tp -113.4 14.36 19.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.826 0.822 . . . . 50.0 109.211 176.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -49.93 -40.28 42.91 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 116.362 1.986 . . . . 50.0 116.362 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.42 -31.19 61.32 Favored Glycine 0 C--O 1.228 -0.244 0 O-C-N 121.155 -0.966 . . . . 50.0 111.247 -178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -70.1 -25.95 63.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.884 -0.774 . . . . 50.0 109.072 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.66 -39.75 36.02 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 122.558 0.343 . . . . 50.0 110.534 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.19 -32.2 73.76 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.944 0.878 . . . . 50.0 110.881 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.92 19.85 12.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.767 -0.651 . . . . 25.0 111.216 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -58.79 153.51 16.78 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 120.948 0.404 . . . . 50.0 111.584 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -130.13 -50.83 1.11 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.719 -0.474 . . . . 50.0 109.719 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -81.61 88.47 6.22 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.174 -1.047 . . . . 50.0 108.174 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.35 -27.99 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.999 0.428 . . . . 50.0 110.913 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.09 -40.03 71.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.393 0.616 . . . . 50.0 109.931 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.75 -37.28 49.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.244 -0.435 . . . . 25.0 111.735 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 p -65.96 -38.41 82.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.536 -0.913 . . . . 50.0 108.536 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -80.46 -27.38 37.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.009 -0.541 . . . . 50.0 111.073 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -35.29 68.72 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 175.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -76.8 -43.83 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.275 0.56 . . . . 50.0 110.041 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.8 mmt -68.63 -50.81 48.46 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 112.881 0.697 . . . . 50.0 112.881 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.27 -35.68 81.62 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.59 -0.444 . . . . 50.0 110.356 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -62.44 -43.5 98.67 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.583 -0.447 . . . . 50.0 110.469 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.9 -23.17 52.56 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 119.51 -0.876 . . . . 50.0 109.648 -178.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -63.93 -25.46 68.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.979 0.419 . . . . 25.0 110.966 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -101.66 -20.37 15.04 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.477 0.656 . . . . 50.0 110.826 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -103.73 14.34 31.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.899 -0.592 . . . . 50.0 110.652 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.42 -22.31 63.33 Favored Glycine 0 C--O 1.224 -0.491 0 N-CA-C 115.984 1.154 . . . . 25.0 115.984 -169.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -89.32 4.53 48.55 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.768 0.794 . . . . 25.0 110.166 -174.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.64 -160.87 36.61 Favored Glycine 0 N--CA 1.42 -2.369 0 N-CA-C 104.553 -3.419 . . . . 50.0 104.553 171.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -147.8 171.14 16.17 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 122.303 -0.528 . . . . 50.0 109.779 -177.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -138.8 165.06 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 107.933 -1.136 . . . . 50.0 107.933 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.96 -174.13 2.7 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 104.349 -2.463 . . . . 50.0 104.349 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -52.99 -47.28 68.35 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.183 0.808 . . . . 50.0 113.183 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -55.03 -48.78 72.94 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.103 0.411 . . . . 50.0 111.176 -177.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -69.33 -43.62 73.35 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.96 0.886 . . . . 50.0 109.844 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -39.77 86.14 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.128 -0.942 . . . . 50.0 110.124 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.61 -37.29 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 122.132 -0.355 . . . . 50.0 110.746 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.43 -43.61 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 121.082 0.468 . . . . 50.0 109.758 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 38.1 mt -70.29 -36.96 74.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.013 0.435 . . . . 50.0 111.179 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.09 -43.49 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 109.043 -0.725 . . . . 50.0 109.043 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.77 82.19 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.954 -0.466 . . . . 25.0 111.151 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.52 98.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.623 0.725 . . . . 25.0 110.103 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -33.48 72.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.465 0.65 . . . . 50.0 109.827 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.1 m -64.32 -44.88 90.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.215 -0.448 . . . . 25.0 110.894 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.23 -23.74 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.216 -0.927 . . . . 50.0 112.509 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.798 0 CA-C-O 121.736 0.779 . . . . 25.0 111.282 172.366 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 C--O 1.237 0.414 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.79 -42.41 99.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.0 0.429 . . . . 75.0 110.6 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tt -64.45 -41.84 96.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.839 0.828 . . . . 50.0 109.779 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.84 -36.4 82.24 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.345 -0.847 . . . . 50.0 112.014 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 p -71.76 -27.04 62.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.177 -0.609 . . . . 25.0 109.627 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.19 85.87 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 174.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.9 mmm -71.26 -32.23 68.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.224 0.824 . . . . 50.0 113.224 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -70.21 -25.3 63.34 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.251 -0.648 . . . . 50.0 109.251 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.0 m -66.51 -43.05 86.37 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 122.05 -0.406 . . . . 25.0 110.413 171.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.49 -35.72 76.61 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.961 -0.755 . . . . 50.0 108.961 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.62 -49.44 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 109.18 -0.674 . . . . 50.0 109.18 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -57.26 -50.18 73.7 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.208 0.527 . . . . 50.0 110.999 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.55 -0.75 . . . . 50.0 112.184 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.41 -48.54 80.74 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.737 -0.602 . . . . 50.0 110.546 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -71.75 -14.22 61.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.558 0.577 . . . . 50.0 112.558 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.83 62.33 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 122.114 -0.366 . . . . 25.0 110.286 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -83.25 -19.32 36.6 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.7 m . . . . . 0 N--CA 1.469 0.479 0 O-C-N 123.415 0.447 . . . . 25.0 111.705 178.871 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 . . . . . 0 N--CA 1.462 0.146 0 N-CA-C 107.889 -1.152 . . . . 50.0 107.889 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -135.61 158.59 43.99 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.628 -0.714 . . . . 50.0 109.527 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -147.71 137.19 22.51 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.098 0.249 . . . . 50.0 110.563 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.78 148.49 50.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.993 -0.442 . . . . 50.0 110.353 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -59.01 -43.08 91.48 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 114.282 1.215 . . . . 50.0 114.282 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -30.51 70.65 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.393 0.997 . . . . 50.0 110.282 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -77.78 -23.56 49.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.385 -0.825 . . . . 50.0 109.419 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 tp -70.95 -35.54 72.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.2 -0.454 . . . . 50.0 110.556 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -58.21 -34.51 70.48 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 120.886 -0.326 . . . . 50.0 110.455 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -60.34 -49.03 79.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.744 -0.465 . . . . 50.0 109.744 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.41 -46.99 85.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.506 0.67 . . . . 50.0 109.301 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.84 -31.88 73.21 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.783 -0.644 . . . . 50.0 111.889 -178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -81.81 -22.4 37.12 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 123.066 0.546 . . . . 50.0 110.929 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.2 m -89.75 -56.53 3.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.898 -0.592 . . . . 25.0 110.81 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -84.63 -42.05 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.096 0.406 . . . . 50.0 112.096 -176.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.84 13.13 21.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.163 0.506 . . . . 50.0 111.817 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.35 -35.21 5.2 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.915 1.45 . . . . 50.0 114.915 172.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.28 -35.11 57.09 Favored Glycine 0 C--O 1.228 -0.23 0 C-N-CA 120.588 -0.815 . . . . 50.0 112.268 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -71.33 -30.08 65.77 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.011 -1.107 . . . . 50.0 108.011 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.34 -42.27 75.54 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.275 -0.42 . . . . 50.0 110.199 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.46 -30.55 70.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.627 0.727 . . . . 50.0 111.128 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.05 28.67 6.54 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.799 -0.637 . . . . 25.0 111.071 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.52 152.67 37.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.118 0.485 . . . . 50.0 110.079 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -126.99 -50.5 1.45 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.114 -1.069 . . . . 50.0 108.114 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.91 88.59 5.3 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.903 -0.777 . . . . 50.0 108.903 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.09 -25.47 35.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.987 -0.551 . . . . 50.0 110.042 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.79 -40.76 69.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.583 -0.525 . . . . 50.0 109.583 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.12 -36.15 48.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.354 0.502 . . . . 25.0 112.354 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.16 -39.69 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 107.818 -1.179 . . . . 50.0 107.818 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -80.32 -28.81 38.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.953 -0.567 . . . . 50.0 111.521 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -33.86 65.64 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 177.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.0 t -82.74 -45.56 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.411 -0.516 . . . . 50.0 110.421 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.6 mmt -66.83 -50.24 63.21 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 112.94 0.718 . . . . 50.0 112.94 -174.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -36.64 84.78 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.849 -0.34 . . . . 50.0 110.3 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.49 -42.09 96.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.614 -0.266 . . . . 50.0 110.721 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.04 -25.78 48.0 Favored 'General case' 0 C--O 1.201 -1.481 0 C-N-CA 119.161 -1.016 . . . . 50.0 109.587 -176.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.02 -21.89 66.91 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.623 0.601 . . . . 25.0 112.623 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -96.57 -26.77 15.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.725 0.774 . . . . 50.0 109.8 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -98.85 15.13 26.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.343 -0.844 . . . . 50.0 110.908 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.29 -21.13 66.02 Favored Glycine 0 C--O 1.217 -0.945 0 N-CA-C 116.201 1.241 . . . . 25.0 116.201 -166.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -89.64 5.29 46.4 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.742 0.782 . . . . 25.0 110.714 -173.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.11 -156.26 30.33 Favored Glycine 0 N--CA 1.416 -2.636 0 N-CA-C 104.783 -3.327 . . . . 50.0 104.783 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.81 167.34 29.98 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 122.279 -0.542 . . . . 50.0 110.184 -173.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.74 170.4 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.885 -1.052 . . . . 50.0 109.532 -179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -124.38 -174.15 2.94 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.512 -1.662 . . . . 50.0 106.512 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -52.13 -48.91 64.62 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 113.371 0.878 . . . . 50.0 113.371 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -54.95 -47.43 74.51 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.705 0.684 . . . . 50.0 110.778 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -46.41 72.51 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 122.223 1.011 . . . . 50.0 108.855 -174.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -39.45 80.86 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.878 -1.055 . . . . 50.0 111.364 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.1 t -71.39 -36.98 63.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 121.182 -0.207 . . . . 50.0 110.679 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.5 -43.21 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.091 0.472 . . . . 50.0 109.84 177.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.1 mt -70.11 -36.25 74.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.102 0.477 . . . . 50.0 110.674 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.04 -44.18 99.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.018 -0.734 . . . . 50.0 109.018 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.0 82.47 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.024 -0.422 . . . . 25.0 111.553 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.2 99.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.348 0.594 . . . . 25.0 110.459 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -35.39 72.59 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.313 -0.555 . . . . 50.0 109.505 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.6 m -58.92 -45.44 90.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.156 -0.34 . . . . 25.0 110.902 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.0 m -73.84 -24.2 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 119.15 0.886 . . . . 50.0 113.068 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.408 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 174.193 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.9 p . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -60.21 -43.72 95.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.275 0.559 . . . . 75.0 110.669 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 tt -67.35 -41.82 84.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.522 0.677 . . . . 50.0 109.772 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.72 -34.36 77.67 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 121.263 -0.898 . . . . 50.0 111.149 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -71.55 -28.36 63.81 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.111 -0.636 . . . . 25.0 110.309 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.03 86.74 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 174.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.7 mmm -71.42 -33.51 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.364 0.876 . . . . 50.0 113.364 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.68 -28.45 66.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.747 -0.834 . . . . 50.0 108.747 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 59.5 m -64.08 -44.94 90.82 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 122.155 -0.34 . . . . 25.0 110.461 171.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.97 -36.78 77.87 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.959 -0.756 . . . . 50.0 108.959 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.43 -46.84 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 109.474 -0.565 . . . . 50.0 109.474 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.41 -45.81 87.69 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.371 0.605 . . . . 75.0 111.002 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -64.88 -44.89 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 116.081 -0.508 . . . . 50.0 111.138 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.42 -47.47 85.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.594 0.711 . . . . 50.0 110.205 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -63.25 -27.05 69.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.424 -0.807 . . . . 50.0 111.668 -176.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.1 75.03 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -86.18 -16.91 36.32 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 111.779 0.289 . . . . 25.0 111.779 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.0 m -60.33 156.79 14.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.163 0.506 . . . . 25.0 111.178 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.577 0 C-N-CA 120.885 -0.674 . . . . 25.0 113.151 -178.438 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm . . . . . 0 C--O 1.24 0.554 0 N-CA-C 112.484 0.55 . . . . 50.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -145.66 133.54 21.27 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 116.257 -0.429 . . . . 50.0 109.945 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 5.3 m -69.89 148.85 48.5 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.744 -0.598 . . . . 50.0 111.2 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -59.48 -48.79 80.31 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.612 1.338 . . . . 50.0 114.612 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -32.56 66.15 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 118.489 0.586 . . . . 50.0 112.211 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -77.61 -24.54 49.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.369 0.604 . . . . 50.0 110.33 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 tp -67.6 -30.67 70.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.813 -0.554 . . . . 50.0 110.448 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -61.85 -31.84 72.13 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 120.299 -0.56 . . . . 50.0 110.267 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -64.12 -47.43 79.99 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.098 -0.704 . . . . 50.0 109.098 177.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.09 -46.96 87.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.827 -0.805 . . . . 50.0 108.827 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.87 -31.84 72.96 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 115.59 -0.732 . . . . 50.0 111.743 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -81.67 -22.41 37.52 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.965 -0.459 . . . . 50.0 111.092 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 53.8 m -90.35 -52.4 4.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.877 -0.601 . . . . 25.0 111.892 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -92.36 -40.09 11.1 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.646 0.61 . . . . 50.0 112.646 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 tp -89.44 10.17 23.62 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.529 0.681 . . . . 50.0 109.738 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -39.44 30.47 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 115.458 1.651 . . . . 50.0 115.458 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.53 -30.67 61.84 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 120.557 -0.83 . . . . 50.0 111.282 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -73.63 -30.5 62.99 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.687 -0.89 . . . . 50.0 109.03 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.29 -38.99 82.21 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.655 -0.498 . . . . 50.0 109.655 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.68 -36.66 81.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.52 0.676 . . . . 50.0 111.3 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.09 39.94 1.55 Allowed 'General case' 0 C--O 1.247 0.941 0 CA-C-O 121.724 0.774 . . . . 25.0 109.708 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -71.75 162.02 30.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.917 -1.038 . . . . 50.0 108.3 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -131.09 -50.96 1.02 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.287 -0.635 . . . . 50.0 109.287 176.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -84.87 92.63 8.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.526 0.679 . . . . 50.0 109.873 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 29.0 m -66.0 -21.35 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.386 -0.825 . . . . 50.0 112.996 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.416 ' CG ' ' HZ2' ' B' ' 56' ' ' LYS . 25.3 t70 -81.59 -47.57 12.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.94 -0.763 . . . . 50.0 108.94 177.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.91 70.66 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.247 0.462 . . . . 25.0 112.247 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.19 -38.76 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 108.465 -0.939 . . . . 50.0 108.465 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.29 -28.4 57.0 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.302 -0.863 . . . . 50.0 111.263 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.416 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 13.7 mptt -59.61 -38.64 81.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.019 -0.426 . . . . 25.0 111.585 177.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 50.0 t -68.56 -40.84 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 122.277 1.037 . . . . 50.0 108.717 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.4 mmt -72.02 -46.53 56.77 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 115.138 -0.937 . . . . 50.0 111.829 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -36.0 82.48 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.143 -0.317 . . . . 50.0 110.143 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -59.48 -48.78 80.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.162 -0.681 . . . . 50.0 109.162 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.21 -20.55 48.0 Favored 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 118.685 -1.206 . . . . 50.0 110.488 -174.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.91 -26.91 68.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.037 0.446 . . . . 25.0 110.894 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -103.0 -25.35 13.48 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.472 0.653 . . . . 50.0 110.747 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -94.82 21.77 7.15 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.641 -0.874 . . . . 50.0 108.641 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.84 22.9 4.61 Favored Glycine 0 C--O 1.213 -1.209 0 CA-C-N 115.562 -0.744 . . . . 25.0 112.327 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -115.96 -1.91 12.43 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 122.527 -0.396 . . . . 25.0 110.246 167.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.47 -155.99 32.29 Favored Glycine 0 N--CA 1.433 -1.527 0 N-CA-C 109.551 -1.42 . . . . 50.0 109.551 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 11.8 pt-20 -155.46 163.52 39.92 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 113.809 -1.196 . . . . 50.0 110.175 -169.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 m -141.93 168.25 15.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 122.097 0.951 . . . . 50.0 110.851 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -120.58 -174.2 2.75 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 105.157 -2.164 . . . . 50.0 105.157 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.96 -46.71 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.496 0.924 . . . . 50.0 113.496 177.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -54.95 -46.85 75.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.975 0.352 . . . . 50.0 111.343 -177.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.54 -39.74 70.5 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.107 0.956 . . . . 50.0 108.98 -173.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -38.81 86.78 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.237 -0.892 . . . . 50.0 109.829 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 72.6 t -71.97 -36.22 56.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 121.173 -0.211 . . . . 50.0 110.561 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 75.3 t -57.73 -46.66 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 109.252 -0.647 . . . . 50.0 109.252 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 mt -69.29 -38.41 78.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 50.0 111.255 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.7 -43.86 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.735 -0.469 . . . . 50.0 109.735 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.49 -36.47 81.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.957 -0.464 . . . . 25.0 110.743 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.14 -41.23 97.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.278 0.561 . . . . 25.0 110.2 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 tt -68.58 -35.77 77.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.448 0.642 . . . . 50.0 109.488 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -64.46 -40.2 95.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.378 -0.373 . . . . 25.0 111.834 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 20.8 m -71.28 -23.84 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 120.783 -1.198 . . . . 50.0 112.343 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.607 0 CA-C-O 121.412 0.625 . . . . 25.0 111.131 171.409 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.234 0.271 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.48 -39.52 84.0 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.339 0.59 . . . . 75.0 110.259 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.15 -32.99 73.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.925 0.869 . . . . 50.0 112.277 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -74.23 -34.95 63.82 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.009 -0.541 . . . . 50.0 110.346 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.9 p -72.8 -26.11 61.4 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.99 86.14 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 173.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.4 mmm -70.09 -33.05 71.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.173 0.805 . . . . 50.0 113.173 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -70.58 -25.4 63.05 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 120.026 -0.67 . . . . 50.0 109.563 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.4 m -65.13 -42.56 93.75 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.118 -0.364 . . . . 25.0 110.552 172.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.2 -35.87 76.38 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.898 -0.779 . . . . 50.0 108.898 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.58 -45.68 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.239 -0.652 . . . . 50.0 109.239 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -59.57 -48.82 80.15 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 122.126 -0.359 . . . . 50.0 110.747 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.76 -43.36 98.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.52 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -62.43 -49.13 76.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.128 0.489 . . . . 50.0 109.979 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -61.08 -30.47 70.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.855 -0.611 . . . . 50.0 112.176 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.08 75.4 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 111.738 0.273 . . . . 25.0 111.738 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -83.92 -19.32 34.91 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 111.697 0.258 . . . . 25.0 111.697 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--N 1.327 -0.404 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -178.668 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 N--CA 1.464 0.269 0 N-CA-C 108.763 -0.829 . . . . 50.0 108.763 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -131.98 151.6 51.63 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.104 0.478 . . . . 50.0 111.899 -176.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -138.79 134.79 33.9 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 109.095 -0.705 . . . . 50.0 109.095 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.07 147.69 53.02 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 111.908 0.336 . . . . 50.0 111.908 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -63.13 -47.14 84.04 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.061 0.763 . . . . 50.0 113.061 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -29.02 66.43 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.407 0.549 . . . . 50.0 111.908 176.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -83.01 -23.76 33.15 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 121.554 0.693 . . . . 50.0 110.876 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.69 -32.8 74.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.129 0.49 . . . . 50.0 109.841 177.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.8 tttp -55.18 -38.71 68.7 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.751 -0.659 . . . . 50.0 110.983 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.3 -48.51 75.4 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.273 -0.639 . . . . 50.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.11 -45.74 90.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.65 0.738 . . . . 50.0 109.411 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.79 -30.61 71.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.563 -0.744 . . . . 50.0 111.976 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -81.78 -22.68 37.03 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 122.841 0.456 . . . . 50.0 111.736 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -93.88 -52.67 4.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.99 -0.55 . . . . 25.0 112.123 -174.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -91.28 -42.67 10.26 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.366 0.603 . . . . 50.0 112.011 -176.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -87.36 8.26 25.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.837 -0.619 . . . . 50.0 110.119 -178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.04 -37.04 8.71 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 116.239 1.94 . . . . 50.0 116.239 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.99 -36.8 56.9 Favored Glycine 0 C--O 1.224 -0.507 0 C-N-CA 120.141 -1.028 . . . . 50.0 111.209 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -71.8 -29.74 64.78 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.879 -0.786 . . . . 50.0 108.879 176.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.7 tp -68.83 -42.95 76.47 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 121.418 0.627 . . . . 50.0 109.803 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.2 -32.71 73.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.524 -0.762 . . . . 50.0 111.716 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.71 22.49 4.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.307 -0.406 . . . . 25.0 110.436 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.33 152.45 29.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.088 0.47 . . . . 50.0 110.189 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -135.04 -50.36 0.76 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.233 -0.654 . . . . 50.0 109.233 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.15 86.78 4.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.81 -1.182 . . . . 50.0 107.81 172.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.8 m -64.79 -25.2 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.745 -0.661 . . . . 50.0 110.538 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 34.3 t70 -68.24 -38.62 82.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.187 0.518 . . . . 50.0 110.501 178.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.2 -39.03 23.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 -176.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -65.57 -38.13 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.612 0.72 . . . . 50.0 109.394 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -78.9 -26.33 43.79 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.516 -0.765 . . . . 50.0 109.629 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 2.2 ttmm -60.97 -37.35 82.12 Favored 'General case' 0 C--O 1.215 -0.741 0 C-N-CA 120.84 -0.344 . . . . 25.0 111.442 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.73 -42.13 80.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 122.053 0.93 . . . . 50.0 108.842 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.7 mmt -70.49 -46.67 63.29 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.373 -0.83 . . . . 50.0 111.75 -176.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -35.37 80.62 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.428 -0.212 . . . . 50.0 110.428 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -60.24 -48.06 83.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.147 -0.686 . . . . 50.0 109.147 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.25 -20.18 48.81 Favored 'General case' 0 C--O 1.21 -0.982 0 C-N-CA 118.933 -1.107 . . . . 50.0 110.624 -174.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.04 -27.35 69.35 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.073 0.463 . . . . 25.0 110.747 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -103.56 -23.77 13.47 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.393 0.616 . . . . 50.0 110.955 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.431 ' C ' ' H ' ' A' ' 66' ' ' ASP . 52.4 m-80 -96.65 19.83 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.009 -0.541 . . . . 50.0 110.309 177.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.33 20.77 3.88 Favored Glycine 0 C--O 1.218 -0.883 0 CA-C-O 121.841 0.689 . . . . 25.0 112.636 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 64' ' ' ASN . 26.5 t70 -99.27 -29.89 12.55 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 174.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.62 -152.93 29.08 Favored Glycine 0 N--CA 1.438 -1.211 0 CA-C-O 123.295 1.497 . . . . 50.0 113.974 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.93 165.41 35.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 112.988 -1.606 . . . . 50.0 110.385 -171.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 m -134.95 173.12 14.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.278 -0.874 . . . . 50.0 110.492 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -121.41 -174.25 2.81 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 106.201 -1.777 . . . . 50.0 106.201 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -53.85 -49.08 69.25 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 113.703 1.001 . . . . 50.0 113.703 177.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -55.75 -45.05 78.11 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.102 0.41 . . . . 50.0 111.034 -176.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -44.26 71.48 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.123 0.963 . . . . 50.0 109.553 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -38.81 78.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.028 -0.987 . . . . 50.0 110.27 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.8 t -72.89 -36.16 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 122.223 -0.298 . . . . 50.0 110.921 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.6 t -58.4 -46.32 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.81 -36.98 76.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.84 -0.618 . . . . 50.0 110.923 -177.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.0 t -63.08 -44.8 99.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.562 -0.533 . . . . 50.0 109.562 175.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.61 88.12 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.051 -0.405 . . . . 25.0 110.554 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.06 95.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.412 0.625 . . . . 25.0 110.463 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.47 -37.34 82.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.451 0.643 . . . . 50.0 109.586 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.2 m -62.46 -43.61 98.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.169 -0.469 . . . . 25.0 111.733 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.5 m -70.63 -23.97 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 120.706 -1.246 . . . . 50.0 112.183 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 121.235 0.541 . . . . 25.0 110.717 175.358 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 119.999 -0.048 . . . . 25.0 111.018 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.46 -46.01 91.85 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.414 0.626 . . . . 75.0 110.486 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.98 -40.65 91.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.035 0.921 . . . . 50.0 109.723 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -68.16 -35.03 77.42 Favored 'General case' 0 C--N 1.315 -0.914 0 O-C-N 121.458 -0.776 . . . . 50.0 111.939 -176.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.5 p -73.84 -31.15 63.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 176.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.8 -48.02 82.75 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 172.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mmm -72.23 -29.74 64.24 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.482 0.919 . . . . 50.0 113.482 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -72.82 -24.42 60.9 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.363 -0.835 . . . . 50.0 109.526 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -63.51 -44.46 94.26 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 170.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.2 -38.6 89.76 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.061 -0.718 . . . . 50.0 109.061 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.68 -48.31 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.698 -0.482 . . . . 50.0 109.698 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -58.15 -49.6 76.42 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.776 0.322 . . . . 75.0 110.583 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -67.41 -42.82 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-N 115.602 -0.726 . . . . 50.0 111.968 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.423 ' HB2' ' CE2' ' B' ' 74' ' ' TYR . 83.3 t80 -59.36 -51.23 70.79 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.586 -0.696 . . . . 50.0 110.38 178.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -71.34 -14.67 62.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.788 0.662 . . . . 50.0 112.788 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.85 54.84 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 175.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -78.96 -24.67 43.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.662 -0.244 . . . . 25.0 111.449 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -59.97 158.35 11.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.334 0.588 . . . . 25.0 111.613 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.599 0 C-N-CA 120.817 -0.706 . . . . 25.0 114.212 -178.757 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp . . . . . 0 CA--C 1.51 -0.583 0 CA-C-O 120.99 0.424 . . . . 50.0 110.542 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.0 tp -132.43 129.71 39.64 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 107.094 -1.447 . . . . 50.0 107.094 173.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.29 146.42 54.4 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.714 -0.847 . . . . 50.0 108.714 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.0 -40.49 89.42 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 113.786 1.032 . . . . 50.0 113.786 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -29.55 70.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.633 1.106 . . . . 50.0 109.928 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.56 -23.71 39.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.616 0.722 . . . . 50.0 110.217 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.12 -35.31 80.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.214 0.531 . . . . 50.0 109.908 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -61.26 -33.92 74.33 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 116.028 -0.533 . . . . 50.0 110.369 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -63.05 -48.5 78.43 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.102 -0.703 . . . . 50.0 109.102 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.86 -46.6 87.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.42 0.628 . . . . 50.0 109.386 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.32 -32.11 72.82 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.859 -0.609 . . . . 50.0 112.162 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.95 -22.34 36.73 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.498 0.719 . . . . 50.0 110.847 -178.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 55.7 m -91.9 -60.62 1.82 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.922 -0.581 . . . . 25.0 111.084 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -81.37 -42.63 20.19 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.054 0.454 . . . . 50.0 111.999 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.95 13.72 17.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.154 0.502 . . . . 50.0 111.957 -177.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.12 -35.56 11.71 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.709 1.374 . . . . 50.0 114.709 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.19 -33.17 59.49 Favored Glycine 0 C--O 1.227 -0.284 0 C-N-CA 120.532 -0.842 . . . . 50.0 112.106 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -71.01 -31.74 68.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.207 -1.035 . . . . 50.0 108.207 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -69.24 -41.48 76.93 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 110.075 -0.342 . . . . 50.0 110.075 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.06 -31.46 72.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.607 0.718 . . . . 50.0 111.284 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.17 27.64 7.03 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 115.924 -0.58 . . . . 25.0 110.914 -176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -63.91 152.65 39.26 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -124.51 -49.52 1.78 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.384 -0.969 . . . . 50.0 108.384 174.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -82.09 87.8 6.47 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.299 -0.63 . . . . 50.0 109.299 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.7 m -63.92 -24.01 34.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 115.666 -0.697 . . . . 50.0 110.801 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.41 ' CG ' ' HZ2' ' B' ' 56' ' ' LYS . 18.7 t70 -76.2 -40.29 52.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.52 -0.309 . . . . 50.0 110.773 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.5 -35.93 53.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 p -63.34 -38.56 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 107.861 -1.163 . . . . 50.0 107.861 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -77.23 -29.59 54.16 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.275 -0.875 . . . . 50.0 111.261 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.41 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -62.03 -26.43 68.24 Favored 'General case' 0 C--O 1.21 -1.014 0 C-N-CA 121.137 -0.225 . . . . 25.0 111.467 178.236 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 66.1 t -85.47 -45.42 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.573 0.701 . . . . 50.0 109.724 175.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 mmt -68.05 -53.4 25.93 Favored 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 113.592 0.96 . . . . 50.0 113.592 -173.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -35.58 80.93 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.784 -0.45 . . . . 50.0 109.784 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -60.71 -46.16 91.47 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.555 -0.458 . . . . 50.0 109.926 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.74 -22.66 49.95 Favored 'General case' 0 C--O 1.207 -1.134 0 C-N-CA 119.029 -1.069 . . . . 50.0 110.857 -177.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.57 -26.79 67.2 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 111.81 0.3 . . . . 25.0 111.81 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -106.11 -21.47 13.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.546 0.688 . . . . 50.0 111.488 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -96.53 15.87 20.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.657 0.742 . . . . 50.0 109.564 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.75 -19.96 65.76 Favored Glycine 0 C--O 1.217 -0.919 0 N-CA-C 115.341 0.896 . . . . 25.0 115.341 -170.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.0 6.74 43.56 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.929 0.871 . . . . 25.0 110.748 -171.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.15 -156.61 32.9 Favored Glycine 0 N--CA 1.418 -2.545 0 N-CA-C 104.376 -3.489 . . . . 50.0 104.376 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -149.6 169.42 21.01 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 122.044 -0.68 . . . . 50.0 109.694 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.9 166.02 23.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.956 -1.02 . . . . 50.0 108.838 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -118.71 -174.09 2.62 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.632 -1.988 . . . . 50.0 105.632 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -53.98 -46.28 71.63 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.817 0.673 . . . . 50.0 112.817 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -55.48 -46.43 76.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 118.172 0.442 . . . . 50.0 111.69 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.29 -46.44 64.3 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.92 -1.141 . . . . 50.0 107.92 -174.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 0.7 OUTLIER -57.41 -40.55 78.53 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.459 -1.246 . . . . 50.0 111.38 -176.09 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.23 -37.57 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 122.39 -0.194 . . . . 50.0 110.722 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.49 -43.62 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.466 -0.568 . . . . 50.0 109.466 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.7 -37.3 76.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.886 0.374 . . . . 50.0 110.912 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -63.56 -42.28 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 109.405 -0.591 . . . . 50.0 109.405 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.83 -35.31 76.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.904 -0.497 . . . . 25.0 111.916 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.56 97.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.293 0.568 . . . . 25.0 109.607 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -36.4 77.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.358 0.599 . . . . 50.0 109.59 177.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 47.9 m -60.25 -44.86 94.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.184 -0.462 . . . . 25.0 110.818 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.41 -23.9 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 121.253 -0.904 . . . . 50.0 112.587 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.41 0 CA-C-O 121.866 0.841 . . . . 25.0 109.472 173.039 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.24 0.554 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -62.44 -39.66 94.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.135 0.493 . . . . 75.0 109.76 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tt -65.16 -41.77 94.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.568 0.699 . . . . 50.0 111.022 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -63.98 -37.96 89.33 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.631 -0.668 . . . . 50.0 111.115 -176.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -77.64 -27.86 51.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.262 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.61 96.18 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.436 -0.949 . . . . 25.0 108.436 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -71.54 -31.8 67.42 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.954 0.724 . . . . 50.0 112.954 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.21 -28.02 66.0 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.137 -0.69 . . . . 50.0 109.137 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -64.35 -43.05 95.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.82 0.343 . . . . 25.0 110.335 173.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.07 -33.64 73.64 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.639 -0.504 . . . . 50.0 109.639 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.49 -45.28 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 109.404 -0.591 . . . . 50.0 109.404 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -58.5 -46.61 86.34 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.489 0.661 . . . . 50.0 110.408 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.92 -42.67 92.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.24 -0.891 . . . . 50.0 111.592 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.24 -43.98 95.62 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.553 -0.717 . . . . 50.0 109.35 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -66.02 -17.55 64.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.092 0.775 . . . . 50.0 113.092 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.48 -49.3 67.06 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.822 -0.549 . . . . 25.0 111.252 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -94.59 -11.78 28.75 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.1 p . . . . . 0 C--N 1.325 -0.485 0 CA-C-O 121.137 0.494 . . . . 25.0 111.021 -178.312 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 107.159 -1.423 . . . . 50.0 107.159 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -133.77 158.68 42.73 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.626 -1.17 . . . . 50.0 110.642 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 tp -153.81 136.05 14.87 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 109.281 -0.637 . . . . 50.0 109.281 177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.46 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 4.3 m -67.31 149.92 49.7 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.853 -0.529 . . . . 50.0 111.381 179.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -58.96 -51.67 69.07 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.827 1.047 . . . . 50.0 113.827 -175.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -28.94 61.88 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.917 0.71 . . . . 50.0 112.917 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -79.37 -23.51 43.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.974 0.416 . . . . 50.0 110.631 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.0 tp -69.91 -25.63 63.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.863 -0.523 . . . . 50.0 110.734 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -56.09 -40.78 74.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.112 0.482 . . . . 50.0 109.749 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.41 -46.51 82.93 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.865 -0.607 . . . . 50.0 110.04 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.62 -47.07 87.03 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.936 -0.764 . . . . 50.0 108.936 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.28 -30.57 71.22 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 116.072 -0.513 . . . . 50.0 111.611 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -82.18 -22.15 36.15 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 122.082 -0.386 . . . . 50.0 111.865 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.1 m -94.64 -50.58 5.11 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.767 -176.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -98.18 -19.4 17.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.275 0.843 . . . . 50.0 113.275 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.0 tp -112.26 12.44 20.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.443 -0.947 . . . . 50.0 108.443 176.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.02 -44.01 9.68 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 116.898 2.184 . . . . 50.0 116.898 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.52 -30.9 59.48 Favored Glycine 0 C--O 1.225 -0.455 0 O-C-N 121.402 -0.811 . . . . 50.0 111.68 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -73.28 -23.63 60.33 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.112 -0.699 . . . . 50.0 109.112 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -78.56 -38.9 39.19 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 123.051 0.54 . . . . 50.0 110.275 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.45 -30.59 70.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.558 0.694 . . . . 50.0 111.176 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.98 21.91 7.14 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.972 -0.558 . . . . 25.0 110.928 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.89 152.57 27.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.319 . . . . 50.0 110.693 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -133.9 -54.58 0.87 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.508 -0.314 . . . . 50.0 110.197 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -78.19 90.79 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.725 -1.213 . . . . 50.0 107.725 171.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.76 -26.65 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.182 0.515 . . . . 50.0 110.462 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.47 -39.24 77.84 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.253 0.549 . . . . 50.0 109.656 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.62 -36.24 38.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.916 -175.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.59 -38.68 82.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 108.601 -0.889 . . . . 50.0 108.601 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -80.64 -24.84 38.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.031 -0.532 . . . . 50.0 110.883 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -31.45 65.22 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 109.57 -0.53 . . . . 25.0 109.57 174.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.2 t -82.06 -44.84 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.367 0.604 . . . . 50.0 110.19 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.5 mmt -68.54 -51.99 36.85 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 113.224 0.824 . . . . 50.0 113.224 -174.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -36.33 83.36 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.958 -0.386 . . . . 50.0 109.958 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -61.3 -43.69 98.45 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.628 -0.429 . . . . 50.0 110.701 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -23.09 48.55 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 119.214 -0.994 . . . . 50.0 109.797 -177.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.94 -26.04 67.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.178 0.513 . . . . 25.0 110.421 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -97.93 -25.8 14.87 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.716 0.77 . . . . 50.0 110.122 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' ' 66' ' ' ASP . 41.3 m-80 -95.26 19.23 10.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.572 -0.74 . . . . 50.0 109.336 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.44 25.2 1.37 Allowed Glycine 0 C--O 1.22 -0.754 0 CA-C-N 115.904 -0.589 . . . . 25.0 114.348 -176.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 64' ' ' ASN . 9.4 t0 -115.86 -13.88 11.33 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.772 0.32 . . . . 25.0 110.542 172.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.92 -154.48 29.7 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-O 122.868 1.26 . . . . 50.0 111.735 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 11.3 pt-20 -152.9 165.01 36.8 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 113.815 -1.193 . . . . 50.0 110.447 -170.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 m -142.58 167.86 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 123.876 0.735 . . . . 50.0 110.758 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -120.98 -174.18 2.77 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 106.006 -1.85 . . . . 50.0 106.006 174.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -53.35 -48.12 68.81 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.56 0.948 . . . . 50.0 113.56 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.35 -45.92 76.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.168 0.44 . . . . 50.0 110.853 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.42 -42.12 75.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.122 0.963 . . . . 50.0 109.965 -175.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.96 -39.52 89.86 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.223 -0.898 . . . . 50.0 110.031 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 81.0 t -71.29 -35.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 122.284 -0.26 . . . . 50.0 110.853 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.96 -44.88 87.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.424 -0.584 . . . . 50.0 109.424 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.4 mt -70.8 -36.25 72.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.346 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 t -63.88 -44.11 97.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.789 -0.449 . . . . 50.0 109.789 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.24 85.16 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.901 -0.5 . . . . 25.0 110.48 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.47 99.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.377 0.608 . . . . 25.0 110.488 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.95 -36.23 79.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.423 0.63 . . . . 50.0 109.828 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.5 m -62.27 -48.31 80.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.211 -0.449 . . . . 25.0 111.123 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.35 -18.87 24.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 N-CA-C 113.79 1.033 . . . . 50.0 113.79 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.956 0 CA-C-O 121.292 0.568 . . . . 25.0 112.194 171.305 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.236 0.376 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -61.56 -39.12 89.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.118 0.485 . . . . 75.0 110.594 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tt -67.13 -42.39 84.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.674 0.75 . . . . 50.0 109.942 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -66.05 -35.55 80.85 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 121.715 -0.616 . . . . 50.0 110.993 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -74.65 -26.98 60.23 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.259 -0.576 . . . . 25.0 110.907 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.03 94.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 175.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.8 mmm -71.06 -33.93 70.72 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.705 0.631 . . . . 50.0 112.705 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.12 -29.24 68.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.878 0.763 . . . . 50.0 109.038 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -64.08 -44.26 92.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.777 0.322 . . . . 25.0 110.489 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.4 -36.54 78.34 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.608 -0.516 . . . . 50.0 109.608 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.56 -46.1 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.287 -0.634 . . . . 50.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.52 -45.05 89.65 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.159 0.504 . . . . 75.0 110.905 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.64 -44.49 93.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 115.084 -0.962 . . . . 50.0 110.666 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -59.7 -46.8 87.97 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.765 -0.585 . . . . 50.0 109.779 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -66.57 -21.55 66.15 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 112.718 0.636 . . . . 50.0 112.718 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.96 89.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.669 0.271 . . . . 25.0 110.62 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -102.38 -14.62 16.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.894 0.701 . . . . 25.0 112.894 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.6 p -63.46 167.68 5.27 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 -173.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.536 0 N-CA-C 115.04 0.776 . . . . 25.0 115.04 175.1 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 121.169 0.509 . . . . 50.0 111.553 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.65 135.78 20.13 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 106.773 -1.566 . . . . 50.0 106.773 174.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -65.17 146.14 55.36 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.816 -0.553 . . . . 50.0 109.783 -179.685 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -58.52 -43.37 89.13 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.203 0.816 . . . . 50.0 113.203 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.76 -29.79 70.35 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.841 0.746 . . . . 50.0 111.116 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -78.55 -25.85 45.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.711 -0.677 . . . . 50.0 109.818 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.59 -30.83 71.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.987 -0.446 . . . . 50.0 110.504 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -61.08 -31.3 70.97 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 120.837 -0.345 . . . . 50.0 110.846 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -63.58 -48.54 76.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.286 -0.635 . . . . 50.0 109.286 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.2 -46.01 92.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.89 -0.782 . . . . 50.0 108.89 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.2 -30.72 71.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.262 0.554 . . . . 50.0 111.822 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -81.92 -22.33 36.82 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 122.94 0.496 . . . . 50.0 111.47 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 43.2 m -97.64 -56.71 2.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.847 -0.615 . . . . 25.0 112.523 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -90.15 -18.17 26.29 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.136 0.791 . . . . 50.0 113.136 -174.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 tp -113.81 11.69 18.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.453 0.644 . . . . 50.0 109.446 176.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.09 -38.82 18.53 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.078 1.51 . . . . 50.0 115.078 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.51 -28.89 72.93 Favored Glycine 0 C--O 1.224 -0.494 0 C-N-CA 120.79 -0.719 . . . . 50.0 112.553 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -79.5 -28.33 41.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.696 -0.884 . . . . 50.0 108.764 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.4 mt -69.39 -39.33 78.06 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.289 -0.634 . . . . 50.0 109.289 175.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -67.37 -33.96 76.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.612 0.72 . . . . 50.0 111.406 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.73 24.74 7.96 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.062 -0.517 . . . . 25.0 111.173 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -62.2 152.38 33.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.928 0.394 . . . . 50.0 110.156 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -128.41 -48.3 1.3 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.196 -0.668 . . . . 50.0 109.196 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -82.22 87.44 6.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.959 -0.756 . . . . 50.0 108.959 175.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.53 -24.7 36.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 CA-C-N 115.687 -0.688 . . . . 50.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.425 ' CG ' ' HZ3' ' B' ' 56' ' ' LYS . 32.7 t70 -74.21 -41.89 60.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.095 0.474 . . . . 50.0 111.23 178.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.55 -37.17 37.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.452 -0.34 . . . . 25.0 111.679 -176.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 p -64.88 -37.65 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.935 -0.765 . . . . 50.0 108.935 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -79.31 -29.44 42.38 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.776 -0.647 . . . . 50.0 110.212 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.425 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP . 30.5 mttp -60.88 -40.77 94.23 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 120.752 -0.379 . . . . 25.0 111.528 176.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -67.0 -41.12 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.387 -0.968 . . . . 50.0 108.387 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.4 mmt -69.29 -46.79 66.33 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 115.561 -0.745 . . . . 50.0 112.188 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.98 -36.44 82.18 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 121.363 -0.135 . . . . 50.0 110.668 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -61.28 -44.46 97.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.235 -0.654 . . . . 50.0 109.235 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.03 -21.92 50.01 Favored 'General case' 0 C--O 1.205 -1.284 0 C-N-CA 119.327 -0.949 . . . . 50.0 110.148 -177.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -63.53 -26.28 68.63 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.884 -0.51 . . . . 25.0 111.268 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -101.03 -25.53 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.47 0.653 . . . . 50.0 110.794 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -97.19 9.06 43.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.771 -0.65 . . . . 50.0 111.281 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.89 -24.49 62.7 Favored Glycine 0 C--O 1.217 -0.923 0 N-CA-C 116.63 1.412 . . . . 25.0 116.63 -167.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.67 3.14 48.98 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.676 0.75 . . . . 25.0 110.448 -171.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.52 -156.4 31.83 Favored Glycine 0 N--CA 1.421 -2.35 0 N-CA-C 105.72 -2.952 . . . . 50.0 105.72 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -150.97 165.19 34.47 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.055 0.455 . . . . 50.0 110.375 -173.6 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.79 167.48 23.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.334 -0.848 . . . . 50.0 108.972 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -119.82 -174.15 2.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 105.979 -1.86 . . . . 50.0 105.979 174.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.09 -47.55 68.48 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 113.423 0.897 . . . . 50.0 113.423 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -55.21 -47.12 75.77 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.294 0.497 . . . . 50.0 110.77 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.81 -44.47 73.45 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-O 122.076 0.941 . . . . 50.0 109.05 -174.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -40.78 81.43 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.939 -1.028 . . . . 50.0 110.421 -178.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.1 t -71.41 -36.33 60.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 122.238 -0.289 . . . . 50.0 110.95 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.96 -44.65 95.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.593 -0.521 . . . . 50.0 109.593 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.4 mt -69.4 -37.4 77.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.128 0.49 . . . . 50.0 110.831 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.1 t -62.53 -44.09 99.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.304 -0.628 . . . . 50.0 109.304 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.37 82.96 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.06 -0.4 . . . . 25.0 111.287 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.73 97.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.298 0.571 . . . . 25.0 110.1 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.25 -35.85 78.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.426 0.632 . . . . 50.0 109.64 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 76.3 m -61.81 -44.94 95.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.081 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 28.6 m -71.15 -26.98 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 120.878 -1.139 . . . . 50.0 111.693 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 121.569 0.7 . . . . 25.0 110.831 174.901 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p . . . . . 0 C--O 1.235 0.308 0 N-CA-C 110.613 -0.143 . . . . 25.0 110.613 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.28 -41.5 97.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.975 0.417 . . . . 75.0 110.617 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.3 -41.85 93.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.27 0.557 . . . . 50.0 110.189 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.26 -40.7 98.14 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.623 -0.673 . . . . 50.0 110.82 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.9 p -71.7 -27.81 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.449 -0.5 . . . . 25.0 110.64 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.48 95.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -72.78 -32.03 65.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.585 0.957 . . . . 50.0 113.585 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.77 -26.6 65.3 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.05 -0.722 . . . . 50.0 109.05 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.1 m -64.74 -43.3 93.8 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.573 -0.285 . . . . 25.0 110.634 172.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.4 -36.31 77.83 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.991 -0.744 . . . . 50.0 108.991 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.51 -45.4 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 109.535 -0.543 . . . . 50.0 109.535 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.73 -49.41 77.73 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.068 0.461 . . . . 50.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.2 -44.24 98.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.664 -0.698 . . . . 50.0 111.794 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.51 -48.39 79.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.764 -0.585 . . . . 50.0 110.263 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -62.6 -29.49 70.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.922 -0.581 . . . . 50.0 111.835 -177.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.88 93.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.112 0.412 . . . . 25.0 112.112 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -93.73 -19.38 21.13 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 -177.696 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.844 0.354 . . . . 50.0 110.602 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -126.78 156.85 40.58 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 110.173 -0.306 . . . . 50.0 110.173 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -141.28 130.41 23.39 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.6 -0.889 . . . . 50.0 108.6 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.2 m -68.21 145.96 53.82 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 122.099 -0.376 . . . . 50.0 110.087 -177.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -57.49 -46.82 83.3 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.173 1.175 . . . . 50.0 114.173 -174.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -31.35 68.88 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.467 0.576 . . . . 50.0 112.211 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -80.31 -24.67 39.78 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 121.202 0.525 . . . . 50.0 110.406 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 tp -66.52 -30.64 71.0 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.779 -0.576 . . . . 50.0 109.887 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -60.8 -31.67 71.05 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 120.727 -0.389 . . . . 50.0 110.276 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.09 -48.98 76.28 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.195 -0.669 . . . . 50.0 109.195 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.9 -46.61 88.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.729 0.776 . . . . 50.0 109.185 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.3 -31.27 72.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.431 -0.804 . . . . 50.0 111.77 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -81.84 -22.33 37.06 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.104 0.562 . . . . 50.0 111.678 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.6 m -94.79 -55.85 2.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.887 -0.597 . . . . 25.0 112.426 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -87.61 -44.62 11.09 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.363 0.601 . . . . 50.0 111.592 -176.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 tp -86.46 9.32 18.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.5 0.667 . . . . 50.0 110.321 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -38.75 23.49 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 115.308 1.596 . . . . 50.0 115.308 176.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.02 -40.16 84.16 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.345 -0.931 . . . . 50.0 111.043 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -68.16 -29.04 67.83 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 122.025 -0.691 . . . . 50.0 109.384 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.13 -42.58 69.02 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 109.484 -0.562 . . . . 50.0 109.484 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.01 -32.32 70.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.614 0.721 . . . . 50.0 111.402 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.51 20.25 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.174 -0.466 . . . . 25.0 109.796 -176.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.25 152.35 25.08 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.068 -0.345 . . . . 50.0 110.068 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -138.17 -47.26 0.53 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.333 -0.617 . . . . 50.0 109.333 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' HB2' ' HA ' ' A' ' 84' ' ' ALA . 15.9 m-20 -82.39 79.56 8.81 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.376 -1.342 . . . . 50.0 107.376 175.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.0 m -63.19 -24.46 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.243 -0.889 . . . . 50.0 111.512 -174.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.439 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 32.0 t70 -65.81 -37.97 87.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.292 0.567 . . . . 50.0 110.275 177.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.88 -40.44 22.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.82 -0.627 . . . . 25.0 112.589 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.4 p -65.29 -37.97 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.584 0.707 . . . . 50.0 109.541 -175.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -77.71 -28.79 50.99 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.387 -0.824 . . . . 50.0 110.728 -175.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 31.8 mttp -60.96 -37.42 82.32 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 122.006 -0.434 . . . . 25.0 111.708 177.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.3 -42.24 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 122.188 0.994 . . . . 50.0 108.798 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.1 mmt -70.33 -48.41 56.62 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.148 -0.933 . . . . 50.0 111.859 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -35.66 81.7 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.473 -0.195 . . . . 50.0 110.473 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -60.33 -48.53 81.34 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.153 -0.684 . . . . 50.0 109.153 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.87 -19.68 51.35 Favored 'General case' 0 C--O 1.207 -1.136 0 C-N-CA 119.073 -1.051 . . . . 50.0 110.561 -174.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.61 -28.23 69.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.168 0.508 . . . . 25.0 110.935 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -104.1 -23.45 13.29 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.366 0.603 . . . . 50.0 110.973 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -95.8 18.58 12.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.917 0.865 . . . . 50.0 109.444 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.73 24.97 3.05 Favored Glycine 0 C--O 1.212 -1.244 0 CA-C-N 115.362 -0.836 . . . . 25.0 112.961 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -115.78 -4.17 12.16 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 122.68 -0.306 . . . . 25.0 111.608 168.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.09 -158.1 32.75 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 109.247 -1.541 . . . . 50.0 109.247 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 14.1 pt-20 -151.69 159.51 43.97 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 113.459 -1.371 . . . . 50.0 110.087 -174.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.4 m -133.95 173.2 15.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.529 -0.76 . . . . 50.0 110.381 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -124.26 -174.36 2.99 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 105.731 -1.952 . . . . 50.0 105.731 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -52.8 -48.12 67.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.697 0.999 . . . . 50.0 113.697 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -55.25 -45.64 76.06 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.173 0.442 . . . . 50.0 111.426 -177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -40.67 69.26 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 122.079 0.942 . . . . 50.0 110.005 -175.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -38.84 83.68 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.304 -0.862 . . . . 50.0 109.85 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.1 t -71.79 -36.23 57.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 121.215 -0.194 . . . . 50.0 110.725 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.16 -46.56 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 109.219 -0.66 . . . . 50.0 109.219 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.12 -36.16 74.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.892 -0.594 . . . . 50.0 111.05 -177.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.2 t -63.48 -45.23 98.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.741 -0.466 . . . . 50.0 109.741 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.59 90.9 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.092 -0.38 . . . . 25.0 110.124 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.42 97.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.289 0.566 . . . . 25.0 111.033 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 tt -70.92 -35.72 72.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.226 0.536 . . . . 50.0 109.811 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.3 m -61.56 -48.91 78.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.99 -0.444 . . . . 25.0 111.127 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.5 m -62.11 -23.78 32.73 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 N-CA-C 113.581 0.956 . . . . 50.0 113.581 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 50' ' ' ASP . . . . . . . . 0 CA--C 1.554 1.111 0 N-CA-C 113.805 1.039 . . . . 25.0 113.805 172.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.05 -43.29 95.49 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.392 0.615 . . . . 75.0 111.56 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -65.54 -40.66 93.13 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 122.008 0.908 . . . . 50.0 109.14 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -67.88 -35.54 78.69 Favored 'General case' 0 C--N 1.313 -0.988 0 O-C-N 121.509 -0.744 . . . . 50.0 111.36 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 p -71.73 -27.98 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.503 -0.479 . . . . 25.0 109.881 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.1 82.22 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 174.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.6 mmm -70.93 -33.47 70.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.89 0.7 . . . . 50.0 112.89 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -69.47 -27.3 65.11 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.104 -0.702 . . . . 50.0 109.104 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.8 m -65.49 -44.05 88.28 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 110.05 -0.352 . . . . 25.0 110.05 171.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.38 -36.36 77.89 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.392 -0.595 . . . . 50.0 109.392 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.89 -47.94 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 109.67 -0.493 . . . . 50.0 109.67 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.28 -48.5 80.26 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.379 0.609 . . . . 75.0 110.721 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.29 -43.59 98.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.431 -0.804 . . . . 50.0 111.744 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -61.66 -46.77 88.33 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.593 -0.692 . . . . 50.0 109.527 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -61.95 -25.36 67.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.461 -0.791 . . . . 50.0 112.775 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.14 99.36 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.373 0.509 . . . . 25.0 112.373 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -95.51 -21.53 18.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.791 0.329 . . . . 25.0 111.269 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.6 t -59.76 150.07 29.09 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.211 0.605 . . . . 25.0 112.139 -176.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.281 0 N-CA-C 115.907 1.123 . . . . 25.0 115.907 178.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? . . . . . 0 CA--C 1.516 -0.352 0 N-CA-C 108.891 -0.781 . . . . 50.0 108.891 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -142.32 135.73 28.99 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.684 -1.228 . . . . 50.0 107.684 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.95 150.94 47.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.166 -0.679 . . . . 50.0 109.166 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -59.96 -42.97 95.27 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 113.257 0.836 . . . . 50.0 113.257 -176.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -29.39 69.95 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.29 0.95 . . . . 50.0 110.405 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.03 -24.02 47.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.479 -0.782 . . . . 50.0 109.479 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 22.7 tp -70.02 -36.7 75.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.898 -0.501 . . . . 50.0 109.794 175.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -58.78 -33.34 70.21 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 116.485 -0.325 . . . . 50.0 110.42 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.56 -47.87 83.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.396 -0.594 . . . . 50.0 109.396 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.58 -45.41 94.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.353 0.597 . . . . 50.0 109.423 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mp -64.19 -30.08 71.16 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 121.455 0.645 . . . . 50.0 111.295 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -81.54 -22.69 37.72 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.993 -0.442 . . . . 50.0 111.032 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 41.3 m -93.72 -61.63 1.51 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.638 -0.71 . . . . 25.0 111.622 -177.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -83.19 -44.65 14.8 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.412 0.625 . . . . 50.0 111.796 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 tp -83.79 9.94 10.72 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.057 0.456 . . . . 50.0 110.041 -178.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -50.03 -39.59 42.23 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.137 1.162 . . . . 50.0 114.137 175.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.5 -31.56 74.0 Favored Glycine 0 C--O 1.225 -0.429 0 C-N-CA 119.991 -1.1 . . . . 50.0 111.84 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -78.26 -22.37 48.46 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.865 -0.785 . . . . 50.0 110.087 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.34 -39.16 48.58 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 109.664 -0.495 . . . . 50.0 109.664 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.99 -32.62 73.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.816 0.817 . . . . 50.0 111.795 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.56 12.72 17.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 25.0 111.099 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.72 151.4 14.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.198 0.523 . . . . 50.0 112.343 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -133.48 -44.34 0.83 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.437 -0.579 . . . . 50.0 109.437 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -81.13 88.56 5.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.486 0.66 . . . . 50.0 109.824 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.1 m -67.24 -22.8 29.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.585 -0.734 . . . . 50.0 111.607 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.448 ' CG ' ' HZ2' ' B' ' 56' ' ' LYS . 36.7 t70 -77.98 -44.28 27.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.132 0.491 . . . . 50.0 110.107 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.44 -39.29 62.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.506 -0.316 . . . . 25.0 111.803 -177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.68 -38.62 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.316 -0.624 . . . . 50.0 109.316 -177.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -80.13 -30.33 39.01 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 116.07 -0.514 . . . . 50.0 110.904 -175.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.448 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 27.7 mttp -58.37 -42.04 86.12 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.484 -0.325 . . . . 25.0 111.724 177.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.57 -40.18 81.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.975 0.893 . . . . 50.0 108.659 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.8 mmt -69.36 -49.56 54.44 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 115.537 -0.756 . . . . 50.0 112.148 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -36.43 83.79 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.976 -0.29 . . . . 50.0 110.441 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.01 -45.4 94.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.467 -0.568 . . . . 50.0 109.467 177.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.26 -22.37 48.42 Favored 'General case' 0 C--O 1.206 -1.187 0 C-N-CA 119.006 -1.078 . . . . 50.0 110.806 -176.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.24 -27.14 68.23 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.087 -0.383 . . . . 25.0 111.659 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -104.7 -22.62 13.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.475 0.655 . . . . 50.0 111.071 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -96.36 14.43 24.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.53 0.681 . . . . 50.0 109.358 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.65 -22.19 63.71 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 115.391 0.917 . . . . 25.0 115.391 -170.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.33 4.43 50.81 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.723 0.773 . . . . 25.0 110.45 -174.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.87 -156.3 31.27 Favored Glycine 0 N--CA 1.419 -2.485 0 N-CA-C 103.825 -3.71 . . . . 50.0 103.825 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -153.36 169.34 23.34 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.861 -0.788 . . . . 50.0 110.401 -173.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.37 170.64 15.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.012 -0.995 . . . . 50.0 109.806 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.05 -174.29 3.22 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 104.955 -2.239 . . . . 50.0 104.955 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -53.11 -48.11 68.08 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 113.094 0.775 . . . . 50.0 113.094 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -54.93 -45.03 74.78 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.289 0.495 . . . . 50.0 111.135 -177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.73 -49.12 61.41 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.425 1.107 . . . . 50.0 108.756 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -39.98 77.1 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.466 -1.243 . . . . 50.0 111.21 -175.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.2 t -70.66 -37.18 68.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.647 0.261 . . . . 50.0 110.855 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.83 -43.72 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.166 0.508 . . . . 50.0 109.783 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.8 mt -69.13 -37.0 78.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.337 0.589 . . . . 50.0 110.494 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 10.9 t -62.76 -43.09 98.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.228 -0.656 . . . . 50.0 109.228 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.78 82.65 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.001 -0.437 . . . . 25.0 111.362 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.64 97.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.621 0.724 . . . . 25.0 109.776 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.66 -33.24 70.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.42 0.629 . . . . 50.0 110.155 177.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -63.92 -44.82 91.78 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.112 -0.367 . . . . 25.0 111.273 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.62 -23.64 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.673 -0.642 . . . . 50.0 111.881 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.042 0 CA-C-O 121.477 0.656 . . . . 25.0 112.078 171.513 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 119.941 -0.076 . . . . 25.0 110.808 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -61.75 -46.49 89.4 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.393 0.616 . . . . 75.0 110.704 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.47 -39.92 94.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.875 0.845 . . . . 50.0 109.761 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -69.84 -36.07 75.27 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.846 -0.534 . . . . 50.0 112.258 -176.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 p -73.73 -29.66 62.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.15 87.29 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.1 mmm -70.57 -32.71 70.21 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.689 0.996 . . . . 50.0 113.689 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.45 -25.54 63.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.115 -0.698 . . . . 50.0 109.115 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -64.72 -42.4 95.26 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.118 -0.364 . . . . 25.0 110.159 170.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.25 -35.06 77.8 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 109.094 -0.706 . . . . 50.0 109.094 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.8 mt -67.17 -47.18 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.202 -0.666 . . . . 50.0 109.202 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.82 -51.16 70.72 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.26 0.552 . . . . 50.0 111.258 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.92 -34.42 64.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 CA-C-N 115.73 -0.668 . . . . 50.0 111.957 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.95 -43.08 99.76 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 120.989 -1.069 . . . . 50.0 109.665 171.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -66.93 -16.68 64.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.772 0.656 . . . . 50.0 112.772 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.87 79.06 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 121.191 -0.204 . . . . 25.0 111.189 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -102.82 -20.38 14.34 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.17 0.509 . . . . 25.0 109.751 -178.027 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 N--CA 1.461 0.094 0 CA-C-O 120.698 0.285 . . . . 50.0 110.672 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.38 163.57 25.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.252 -0.431 . . . . 50.0 110.175 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.95 137.82 23.85 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 110.023 -0.362 . . . . 50.0 110.023 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.1 152.76 42.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.26 -0.275 . . . . 50.0 111.117 177.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -66.1 -43.4 87.38 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.913 0.708 . . . . 50.0 112.913 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -30.47 71.04 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.063 0.847 . . . . 50.0 109.654 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -77.24 -23.49 51.29 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.123 -0.944 . . . . 50.0 110.276 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.0 tp -75.24 -31.27 60.77 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 121.67 -0.644 . . . . 50.0 110.536 175.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -58.17 -35.5 71.65 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 120.059 -0.656 . . . . 50.0 109.894 176.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.9 -49.24 78.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.782 -0.451 . . . . 50.0 109.782 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.02 -44.75 96.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.464 0.649 . . . . 50.0 109.71 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.83 -30.58 71.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.845 -0.616 . . . . 50.0 111.974 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.59 -22.2 37.89 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 122.874 0.47 . . . . 50.0 111.118 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.5 m -95.22 -51.7 4.5 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 -175.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -91.68 -45.2 8.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.194 0.521 . . . . 50.0 112.138 -176.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.1 tp -85.49 8.7 18.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.824 0.821 . . . . 50.0 109.286 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.34 -39.14 21.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.657 1.725 . . . . 50.0 115.657 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.5 -38.6 79.51 Favored Glycine 0 N--CA 1.458 0.16 0 C-N-CA 120.371 -0.918 . . . . 50.0 110.97 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -69.38 -32.21 71.1 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.93 -0.767 . . . . 50.0 108.93 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -69.12 -44.12 73.04 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.724 0.64 . . . . 50.0 109.952 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.17 -32.85 74.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.733 0.777 . . . . 50.0 111.544 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.35 29.76 3.46 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 115.838 -0.619 . . . . 25.0 109.588 -176.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -62.88 155.81 26.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.32 -0.622 . . . . 50.0 109.32 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -132.28 -49.24 0.92 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.636 0.732 . . . . 50.0 109.265 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.418 ' HB2' ' HA ' ' A' ' 84' ' ' ALA . 22.6 m-20 -85.91 87.68 7.45 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.04 -0.982 . . . . 50.0 108.919 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -62.07 -27.92 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.917 -0.583 . . . . 50.0 111.627 -175.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.26 -37.56 83.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.521 0.677 . . . . 50.0 109.494 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.17 -27.98 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.837 0.68 . . . . 25.0 112.837 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.78 -39.61 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 108.612 -0.884 . . . . 50.0 108.612 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -80.26 -21.45 42.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.034 0.445 . . . . 50.0 111.564 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -53.52 -31.28 45.48 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.499 -0.773 . . . . 25.0 109.746 170.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.79 -48.31 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.278 0.561 . . . . 50.0 111.469 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.0 mmt -66.92 -53.65 29.89 Favored 'General case' 0 CA--C 1.487 -1.451 0 N-CA-C 112.824 0.676 . . . . 50.0 112.824 -172.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -34.78 78.54 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.477 -0.489 . . . . 50.0 109.94 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.31 -50.87 72.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.467 -0.568 . . . . 50.0 109.467 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.41 -19.66 45.7 Favored 'General case' 0 C--O 1.211 -0.94 0 C-N-CA 119.437 -0.905 . . . . 50.0 111.544 -173.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.38 -29.19 67.53 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.941 0.401 . . . . 25.0 111.471 -178.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -108.11 -22.28 12.45 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.257 0.551 . . . . 50.0 111.814 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -96.51 15.43 21.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.775 0.797 . . . . 50.0 109.87 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.6 -19.36 62.55 Favored Glycine 0 C--O 1.22 -0.762 0 N-CA-C 115.872 1.109 . . . . 25.0 115.872 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -92.05 5.4 50.36 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.722 0.773 . . . . 25.0 110.482 -171.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.32 -160.26 36.25 Favored Glycine 0 N--CA 1.417 -2.628 0 N-CA-C 103.627 -3.789 . . . . 50.0 103.627 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.41 163.26 40.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.09 -0.555 . . . . 50.0 109.854 -172.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -142.11 169.94 12.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.201 -0.908 . . . . 50.0 109.446 -175.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.61 -174.23 2.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.382 -1.71 . . . . 50.0 106.382 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -52.56 -47.54 66.73 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 113.341 0.867 . . . . 50.0 113.341 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -54.69 -47.02 74.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.497 0.59 . . . . 50.0 111.004 -178.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -79.62 -31.73 41.66 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-O 121.558 0.694 . . . . 50.0 109.9 -171.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -41.47 90.6 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.493 -0.929 . . . . 50.0 108.493 175.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.1 t -71.34 -36.83 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.815 -0.175 . . . . 50.0 110.659 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -57.43 -44.99 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.183 -0.673 . . . . 50.0 109.183 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.0 mt -70.29 -37.74 74.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.707 0.289 . . . . 50.0 111.2 -178.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.86 -45.71 98.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.922 -0.399 . . . . 50.0 109.922 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.82 -36.77 80.96 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.002 -0.437 . . . . 25.0 110.612 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.71 92.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.253 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -71.27 -37.79 71.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.325 -0.621 . . . . 50.0 109.325 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.0 m -59.83 -41.7 91.93 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 112.293 0.479 . . . . 25.0 112.293 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . 0.303 27.5 m -67.58 -17.02 21.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 N-CA-C 114.462 1.282 . . . . 50.0 114.462 175.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 50' ' ' ASP . . . . . . . . 0 CA--C 1.56 1.357 0 O-C-N 120.333 -1.479 . . . . 25.0 109.369 172.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.496 0 N-CA-C 109.562 -0.532 . . . . 25.0 109.562 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.3 -44.58 95.29 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.799 0.727 . . . . 75.0 111.6 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.02 -39.54 93.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.81 0.815 . . . . 50.0 109.507 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -68.79 -37.94 79.64 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.806 -0.559 . . . . 50.0 111.727 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.3 p -71.3 -28.54 64.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.57 81.82 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.5 mmm -70.45 -31.85 69.18 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.309 0.855 . . . . 50.0 113.309 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.21 -24.87 62.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.16 -0.682 . . . . 50.0 109.16 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.7 m -66.54 -42.24 87.48 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.1 -35.53 78.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.575 -0.898 . . . . 50.0 108.575 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.8 -47.51 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.362 -0.607 . . . . 50.0 109.362 177.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -58.45 -51.67 68.87 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.121 0.486 . . . . 75.0 111.403 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.56 -33.08 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.821 -0.627 . . . . 50.0 112.094 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -62.96 -45.0 94.51 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.186 -0.946 . . . . 50.0 109.097 171.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -66.42 -18.79 65.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.993 0.738 . . . . 50.0 112.993 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.67 80.01 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 122.319 -0.238 . . . . 25.0 110.895 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -101.72 -19.01 15.56 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.6 p -65.83 152.96 43.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 25.0 109.869 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.553 0 C-N-CA 120.878 -0.677 . . . . 25.0 112.935 -175.7 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp . . . . . 0 CA--C 1.515 -0.401 0 CA-C-O 120.917 0.389 . . . . 50.0 110.044 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.69 130.08 27.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 106.725 -1.583 . . . . 50.0 106.725 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -66.19 150.05 49.37 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.423 -0.584 . . . . 50.0 109.423 -178.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -64.31 -41.63 96.73 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 113.644 0.979 . . . . 50.0 113.644 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -29.11 70.19 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.758 -1.214 . . . . 50.0 109.729 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -81.33 -23.68 37.63 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.683 0.754 . . . . 50.0 109.83 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.13 -36.48 79.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.082 -0.71 . . . . 50.0 109.082 173.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -60.33 -35.2 75.09 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 120.412 -0.515 . . . . 50.0 110.208 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.53 -48.84 79.21 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.081 -0.711 . . . . 50.0 109.081 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.41 -46.2 89.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.616 0.722 . . . . 50.0 109.717 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.95 -31.32 72.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.668 -0.696 . . . . 50.0 112.072 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -81.75 -22.67 37.13 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 123.57 0.748 . . . . 50.0 111.001 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 58.5 m -94.36 -51.61 4.71 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -93.14 -45.28 7.96 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.301 0.572 . . . . 50.0 112.21 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.7 tp -84.23 8.37 16.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.855 0.836 . . . . 50.0 109.525 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -35.43 16.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 115.486 1.661 . . . . 50.0 115.486 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.8 -40.4 75.48 Favored Glycine 0 C--O 1.229 -0.19 0 C-N-CA 120.195 -1.002 . . . . 50.0 111.096 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -70.36 -31.41 68.66 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.977 -0.749 . . . . 50.0 108.977 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 26.1 tp -68.25 -45.17 73.94 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 123.232 0.613 . . . . 50.0 111.098 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.14 -35.57 81.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.499 -0.773 . . . . 50.0 111.025 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.8 30.23 3.08 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 116.012 -0.54 . . . . 25.0 109.994 -176.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.23 156.07 26.48 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.731 -0.47 . . . . 50.0 109.731 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -136.86 -52.69 0.69 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.61 0.243 . . . . 50.0 111.038 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -79.83 86.42 5.38 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.834 -1.173 . . . . 50.0 107.834 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.15 -27.96 44.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.848 -174.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.79 -36.04 79.74 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.203 -0.666 . . . . 50.0 109.203 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.89 -31.53 31.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.586 0.588 . . . . 25.0 112.586 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.24 -41.59 66.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.335 -0.617 . . . . 50.0 109.335 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -80.01 -22.12 42.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.938 0.399 . . . . 50.0 111.469 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -53.18 -33.64 53.49 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.855 -0.611 . . . . 25.0 109.899 171.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 50.6 t -88.01 -47.52 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.485 0.66 . . . . 50.0 111.317 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.3 mmt -69.34 -51.35 37.84 Favored 'General case' 0 CA--C 1.488 -1.414 0 N-CA-C 113.056 0.762 . . . . 50.0 113.056 -172.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -35.27 79.05 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.58 -0.448 . . . . 50.0 109.921 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -59.36 -50.51 73.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.296 -0.631 . . . . 50.0 109.296 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.15 -20.59 48.14 Favored 'General case' 0 C--O 1.208 -1.12 0 C-N-CA 119.221 -0.992 . . . . 50.0 111.083 -173.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.36 -28.3 68.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.981 0.42 . . . . 25.0 111.456 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -106.99 -22.44 12.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.463 0.649 . . . . 50.0 111.513 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -96.22 17.13 16.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.793 0.806 . . . . 50.0 109.538 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.39 -19.92 64.93 Favored Glycine 0 C--O 1.215 -1.048 0 N-CA-C 115.309 0.884 . . . . 25.0 115.309 -170.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -91.08 6.31 45.43 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.569 0.7 . . . . 25.0 110.605 -170.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.63 -158.18 34.16 Favored Glycine 0 N--CA 1.418 -2.544 0 N-CA-C 104.439 -3.464 . . . . 50.0 104.439 173.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.413 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 2.9 pp20? -151.07 163.96 37.56 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.047 -0.723 . . . . 50.0 109.047 -174.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 m -140.78 164.52 21.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 123.78 0.675 . . . . 50.0 109.381 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -114.62 -174.13 2.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.728 -1.582 . . . . 50.0 106.728 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -52.48 -48.26 66.02 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 112.846 0.684 . . . . 50.0 112.846 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -53.96 -48.35 70.41 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 118.442 0.565 . . . . 50.0 110.492 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -74.22 -40.96 62.09 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.382 0.611 . . . . 50.0 109.44 -171.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.07 -41.35 74.98 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.803 -0.635 . . . . 50.0 109.958 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.91 -38.16 63.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 122.11 -0.369 . . . . 50.0 111.14 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.89 -43.52 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.246 -0.65 . . . . 50.0 109.246 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.59 -35.53 73.06 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.878 0.37 . . . . 50.0 111.111 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -64.05 -44.21 97.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 109.621 -0.511 . . . . 50.0 109.621 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.53 79.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.873 -0.517 . . . . 25.0 110.852 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.18 86.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.112 0.482 . . . . 25.0 110.625 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 tt -72.91 -35.47 67.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.323 0.583 . . . . 50.0 109.945 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.8 m -63.14 -43.79 97.36 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.297 -0.41 . . . . 25.0 111.274 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 24.6 m -66.24 -23.82 32.49 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 N-CA-C 112.92 0.711 . . . . 50.0 112.92 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 CA-C-O 121.73 0.776 . . . . 25.0 112.396 172.398 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 110.636 -0.135 . . . . 25.0 110.636 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.45 -45.11 95.65 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.24 0.543 . . . . 75.0 110.699 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.45 -41.34 89.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.548 0.689 . . . . 50.0 110.178 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -64.53 -36.51 84.44 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.605 -0.684 . . . . 50.0 111.384 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -75.41 -28.65 59.49 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.596 -0.441 . . . . 25.0 110.256 177.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.9 99.81 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 173.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.7 mmm -72.74 -33.69 66.54 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.721 1.008 . . . . 50.0 113.721 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.7 -28.06 67.35 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.834 -0.802 . . . . 50.0 108.834 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.0 m -64.22 -43.0 96.31 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.421 -0.354 . . . . 25.0 111.207 173.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.76 -37.89 83.38 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.449 -0.574 . . . . 50.0 109.449 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.92 -46.26 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 109.366 -0.605 . . . . 50.0 109.366 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.3 -44.45 88.53 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 120.9 0.381 . . . . 50.0 112.007 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.0 t -67.17 -43.48 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.279 -0.418 . . . . 50.0 111.187 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -59.99 -43.57 95.07 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.656 -0.652 . . . . 50.0 110.062 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -69.03 -19.17 64.11 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.534 0.568 . . . . 50.0 112.534 -176.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.31 -29.78 69.44 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 122.157 -0.339 . . . . 25.0 111.455 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -109.18 -11.3 14.92 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.862 0.689 . . . . 25.0 112.862 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.9 p . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 121.421 0.629 . . . . 25.0 111.995 -175.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 . . . . . 0 N--CA 1.466 0.354 0 CA-C-O 120.545 0.212 . . . . 50.0 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' HZ2' ' CD ' ' A' ' 68' ' ' GLU . 1.8 mmmp? -130.25 146.3 51.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.542 0.571 . . . . 50.0 112.542 -174.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -140.88 133.53 28.73 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 109.314 -0.624 . . . . 50.0 109.314 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 3.3 m -69.5 147.39 50.92 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.982 -0.449 . . . . 50.0 111.457 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.708 1.373 . . . . 50.0 114.708 -175.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -30.34 53.66 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.913 0.709 . . . . 50.0 112.913 176.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -79.85 -30.26 40.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.408 0.623 . . . . 50.0 110.436 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.3 tp -62.95 -29.43 70.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.165 -0.47 . . . . 50.0 111.002 176.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -61.43 -34.84 76.08 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 120.644 -0.422 . . . . 50.0 110.603 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.29 -45.43 84.43 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.198 -0.667 . . . . 50.0 109.198 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.19 -47.1 87.39 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.325 -0.62 . . . . 50.0 109.325 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.72 -32.82 73.07 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 121.412 0.625 . . . . 50.0 111.578 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -81.94 -17.59 46.51 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 123.386 0.675 . . . . 50.0 112.048 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -105.26 -51.0 3.1 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.924 0.712 . . . . 25.0 112.924 -175.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -89.27 -17.68 28.52 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.495 0.664 . . . . 50.0 110.195 -174.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -119.7 12.31 12.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.0 -1.0 . . . . 50.0 110.715 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -31.74 7.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.071 1.137 . . . . 50.0 114.071 172.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.32 -34.1 46.78 Favored Glycine 0 C--O 1.225 -0.439 0 C-N-CA 120.515 -0.85 . . . . 50.0 111.395 -177.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -76.32 -27.87 56.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.704 -0.85 . . . . 50.0 108.704 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -40.15 76.7 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 109.588 -0.523 . . . . 50.0 109.588 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -68.0 -31.16 70.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.898 0.856 . . . . 50.0 110.307 176.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.49 18.39 11.39 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.577 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.88 151.2 35.26 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.694 -0.484 . . . . 50.0 109.694 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -133.1 -44.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.142 -0.688 . . . . 50.0 109.142 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -84.55 85.97 7.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.879 -1.156 . . . . 50.0 107.879 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 m -63.54 -23.82 34.28 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 115.193 -0.912 . . . . 50.0 111.142 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 19.0 t70 -74.01 -39.39 63.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.978 0.418 . . . . 50.0 110.779 177.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.42 -38.37 49.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.206 0.447 . . . . 25.0 112.206 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -63.6 -37.02 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.188 -1.041 . . . . 50.0 108.188 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -76.4 -29.57 57.15 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 115.138 -0.937 . . . . 50.0 111.15 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -60.92 -38.57 86.23 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.822 -0.351 . . . . 25.0 110.802 179.364 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.78 -43.64 79.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 122.041 0.924 . . . . 50.0 109.435 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -69.67 -47.7 62.37 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.464 -0.789 . . . . 50.0 112.237 -174.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -37.48 87.72 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.173 -0.306 . . . . 50.0 110.173 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.67 -48.61 80.48 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.347 -0.541 . . . . 50.0 109.69 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.01 -20.89 51.65 Favored 'General case' 0 C--O 1.209 -1.071 0 C-N-CA 119.043 -1.063 . . . . 50.0 110.356 -174.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.68 -26.8 66.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.208 0.527 . . . . 25.0 110.13 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -95.15 -29.23 14.65 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.828 0.823 . . . . 50.0 109.453 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -94.83 25.26 4.19 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.261 -0.882 . . . . 50.0 109.148 177.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.64 18.27 4.83 Favored Glycine 0 C--O 1.216 -0.971 0 CA-C-N 115.815 -0.63 . . . . 25.0 113.381 -176.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -116.76 -3.82 11.68 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.091 0.472 . . . . 25.0 110.104 168.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.98 -156.3 32.61 Favored Glycine 0 N--CA 1.436 -1.362 0 CA-C-O 122.759 1.199 . . . . 50.0 110.52 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -153.93 170.7 20.42 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 113.853 -1.174 . . . . 50.0 110.257 -170.04 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -144.3 168.92 10.01 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 O-C-N 124.473 1.108 . . . . 50.0 109.559 176.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -121.94 -174.08 2.8 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 104.927 -2.249 . . . . 50.0 104.927 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -54.03 -47.0 72.03 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.492 0.923 . . . . 50.0 113.492 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -55.77 -46.4 77.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.179 0.445 . . . . 50.0 111.155 -177.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -74.5 -37.19 63.19 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.679 0.752 . . . . 50.0 109.911 -173.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -41.24 87.14 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.953 -0.758 . . . . 50.0 108.953 178.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.92 -35.83 55.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 122.141 -0.35 . . . . 50.0 111.439 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.7 t -57.76 -46.07 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.2 mt -70.32 -36.53 74.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.2 -0.454 . . . . 50.0 110.863 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.6 t -62.85 -44.5 99.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.651 -0.5 . . . . 50.0 109.651 176.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.63 91.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.037 -0.414 . . . . 25.0 110.207 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.8 -43.18 97.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.263 0.554 . . . . 25.0 110.587 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 tt -67.4 -37.01 82.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.425 0.631 . . . . 50.0 109.424 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.7 m -63.34 -43.44 97.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.481 . . . . 25.0 111.797 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.4 m -71.03 -23.94 23.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 120.549 -1.344 . . . . 50.0 112.108 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.422 0 CA-C-O 121.51 0.672 . . . . 25.0 111.021 174.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 110.048 -0.352 . . . . 25.0 110.048 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.5 -41.78 95.03 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.014 0.435 . . . . 75.0 110.552 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tt -64.72 -42.66 95.09 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.961 0.886 . . . . 50.0 110.246 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.54 -34.94 79.02 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.436 -0.79 . . . . 50.0 112.109 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.4 p -75.57 -26.91 58.32 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.524 -0.47 . . . . 25.0 110.076 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.01 95.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 85.3 mmm -69.82 -33.97 73.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.873 0.694 . . . . 50.0 112.873 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.39 -27.83 65.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.806 -0.758 . . . . 50.0 109.613 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 46.0 m -64.65 -43.41 93.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 25.0 110.323 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -36.42 78.18 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.591 -0.522 . . . . 50.0 109.591 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 99.1 mt -64.3 -46.44 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 N-CA-C 109.406 -0.59 . . . . 50.0 109.406 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -60.07 -47.29 86.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.708 0.289 . . . . 75.0 111.479 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.87 -44.16 98.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.03 -0.532 . . . . 50.0 110.34 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.57 -48.01 83.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.448 0.642 . . . . 50.0 110.597 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -69.64 -19.7 63.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.082 0.771 . . . . 50.0 113.082 -173.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.68 95.56 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.655 0.264 . . . . 25.0 111.461 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -93.37 -18.09 22.79 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.513 0.197 . . . . 25.0 111.392 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.3 m -59.65 149.23 31.07 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.129 0 N-CA-C 115.474 0.95 . . . . 25.0 115.474 178.235 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.12 0.486 . . . . 50.0 110.93 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.53 131.11 25.5 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.982 -1.859 . . . . 50.0 105.982 173.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 1.8 m -66.23 150.22 49.14 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.632 -0.427 . . . . 50.0 111.333 -175.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -61.03 -41.66 96.99 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.857 0.688 . . . . 50.0 112.857 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -30.25 71.01 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.639 1.109 . . . . 50.0 111.177 178.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -79.33 -23.49 43.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.583 0.706 . . . . 50.0 109.563 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.4 -33.25 75.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.55 -0.537 . . . . 50.0 109.55 176.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -63.09 -36.66 84.34 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 116.29 -0.413 . . . . 50.0 110.281 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.55 -47.21 84.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.66 -46.0 92.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.95 -0.568 . . . . 50.0 110.192 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.34 -28.93 69.64 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 121.236 0.541 . . . . 50.0 111.548 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -81.99 -18.69 42.48 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 122.728 0.411 . . . . 50.0 110.187 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 39.4 m -96.98 -51.71 4.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -100.69 -23.0 14.73 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 114.299 1.222 . . . . 50.0 114.299 -173.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.9 tp -104.92 11.13 33.93 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.399 -0.963 . . . . 50.0 108.399 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -38.63 25.06 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 115.483 1.66 . . . . 50.0 115.483 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.68 -31.22 67.81 Favored Glycine 0 C--N 1.322 -0.195 0 O-C-N 121.447 -0.783 . . . . 50.0 112.366 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -74.96 -24.91 58.54 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.616 -0.883 . . . . 50.0 108.616 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.76 -40.05 34.43 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.242 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.94 -34.96 79.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.709 0.766 . . . . 50.0 110.349 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.54 27.99 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.458 -0.792 . . . . 25.0 110.59 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -61.21 150.03 35.75 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.971 -0.752 . . . . 50.0 108.971 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -133.24 -50.71 0.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.187 0.518 . . . . 50.0 110.052 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -81.14 83.86 6.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.27 -1.011 . . . . 50.0 108.27 175.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.9 m -64.2 -30.35 49.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.361 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.49 -32.17 71.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.352 0.596 . . . . 50.0 110.263 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.22 -39.5 23.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.249 -0.432 . . . . 25.0 111.263 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 p -69.52 -40.0 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.467 -0.568 . . . . 50.0 109.467 -175.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -77.17 -27.22 53.66 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.306 -0.406 . . . . 50.0 110.856 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -55.28 -44.71 75.91 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 110.107 -0.331 . . . . 25.0 110.107 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.0 t -71.66 -41.6 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.601 0.715 . . . . 50.0 109.565 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.1 mmt -68.99 -47.96 64.27 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 115.949 -0.569 . . . . 50.0 112.49 -175.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -36.58 82.13 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.829 -0.348 . . . . 50.0 110.226 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -62.82 -42.9 99.92 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.082 -0.647 . . . . 50.0 110.148 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.55 -21.17 52.97 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 119.769 -0.772 . . . . 50.0 110.271 -178.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.52 -27.37 69.1 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.066 0.46 . . . . 25.0 110.462 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -102.97 -25.39 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.409 0.623 . . . . 50.0 111.301 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -97.25 10.45 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.425 0.631 . . . . 50.0 112.196 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.77 -17.33 60.35 Favored Glycine 0 C--O 1.22 -0.746 0 N-CA-C 116.59 1.396 . . . . 25.0 116.59 -169.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -82.89 -7.86 59.62 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.495 0.664 . . . . 25.0 110.453 -172.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.92 -162.91 37.13 Favored Glycine 0 N--CA 1.42 -2.382 0 N-CA-C 106.388 -2.685 . . . . 50.0 106.388 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 3.8 pm0 -143.46 166.76 23.89 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.527 -0.836 . . . . 50.0 110.277 -175.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.04 167.56 25.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.34 -0.985 . . . . 50.0 108.34 175.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -120.31 -174.1 2.71 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 104.509 -2.404 . . . . 50.0 104.509 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -52.7 -47.58 67.17 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 113.194 0.813 . . . . 50.0 113.194 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -55.53 -48.7 74.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.356 0.525 . . . . 50.0 111.044 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -72.09 -41.54 67.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.722 0.772 . . . . 50.0 109.652 -173.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.86 -40.92 85.75 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.499 -0.773 . . . . 50.0 110.419 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 79.0 t -71.18 -36.68 63.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 122.261 -0.275 . . . . 50.0 111.014 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.89 -44.2 93.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.195 0.521 . . . . 50.0 109.683 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.35 -35.71 73.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.084 0.469 . . . . 50.0 111.035 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.7 t -63.36 -42.91 98.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.24 -0.652 . . . . 50.0 109.24 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.58 85.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.944 -0.472 . . . . 25.0 110.724 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -39.4 94.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.496 0.665 . . . . 25.0 110.105 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.14 -32.57 69.13 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.916 -0.49 . . . . 50.0 110.025 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.5 m -65.05 -43.24 92.94 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.994 -0.441 . . . . 25.0 110.85 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.2 m -71.48 -19.34 20.54 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 O-C-N 121.362 -0.836 . . . . 50.0 111.67 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.965 0 CA-C-O 122.047 0.927 . . . . 25.0 112.422 170.083 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.236 0.394 0 N-CA-C 110.226 -0.287 . . . . 25.0 110.226 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.4 -43.42 98.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.803 0.335 . . . . 75.0 110.315 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.72 -41.83 98.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.904 0.859 . . . . 50.0 110.444 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.32 -35.01 79.27 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.297 -0.877 . . . . 50.0 112.259 -175.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.2 p -76.42 -26.51 55.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.591 -0.444 . . . . 25.0 109.861 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.85 92.55 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 172.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.2 mmm -70.26 -32.86 70.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.731 1.012 . . . . 50.0 113.731 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -68.87 -27.66 66.01 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 119.806 -0.758 . . . . 50.0 109.345 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.5 m -64.23 -42.09 96.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.876 0.369 . . . . 25.0 110.155 172.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.83 -34.98 78.45 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.62 -0.511 . . . . 50.0 109.62 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -67.1 -47.62 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 108.765 -0.828 . . . . 50.0 108.765 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -58.37 -47.26 84.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 50.0 111.796 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -73.59 -34.28 41.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.559 -0.291 . . . . 50.0 111.45 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.02 -45.45 92.74 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.187 -0.945 . . . . 50.0 108.911 171.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -65.37 -19.06 65.78 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.583 -0.735 . . . . 50.0 112.908 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.39 76.33 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.45 -0.781 . . . . 25.0 111.241 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -95.36 -12.67 25.66 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 121.149 0.5 . . . . 25.0 112.25 -177.02 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 C--O 1.232 0.138 0 N-CA-C 107.894 -1.15 . . . . 50.0 107.894 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -133.73 153.75 51.47 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 114.829 -1.078 . . . . 50.0 111.212 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.3 tp -149.36 135.59 19.1 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.4 m -66.43 147.9 52.64 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.995 -0.441 . . . . 50.0 111.059 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -59.88 -48.77 80.35 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.895 1.072 . . . . 50.0 113.895 -174.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -32.45 66.02 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.603 0.594 . . . . 50.0 112.603 176.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.19 -24.96 54.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.982 0.42 . . . . 50.0 111.025 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.06 -25.18 64.32 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.769 -0.582 . . . . 50.0 110.72 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -62.27 -32.57 73.3 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 120.288 -0.565 . . . . 50.0 109.824 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.09 -48.82 76.98 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.235 -0.654 . . . . 50.0 109.235 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.53 -46.16 91.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.181 -0.674 . . . . 50.0 109.181 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.82 -31.61 72.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.281 0.563 . . . . 50.0 111.57 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.9 -22.05 37.04 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.24 0.616 . . . . 50.0 112.08 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 m -100.34 -51.51 3.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -175.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -94.01 -26.92 16.59 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.336 0.495 . . . . 50.0 112.336 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 tp -104.07 11.38 35.31 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.629 -1.249 . . . . 50.0 107.629 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -48.79 -40.93 30.83 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 116.078 1.881 . . . . 50.0 116.078 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.83 -37.12 75.2 Favored Glycine 0 C--O 1.229 -0.218 0 C-N-CA 120.401 -0.904 . . . . 50.0 110.927 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -69.12 -31.76 70.69 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.959 -0.73 . . . . 50.0 109.036 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.22 -40.96 74.23 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 123.355 0.41 . . . . 50.0 110.598 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.95 -35.54 80.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.669 0.747 . . . . 50.0 110.828 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.65 30.96 2.43 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.829 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -63.82 159.57 19.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.011 -0.54 . . . . 50.0 109.752 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -133.14 -53.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.484 0.659 . . . . 50.0 110.546 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -83.15 84.1 7.61 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.432 -0.951 . . . . 50.0 108.432 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.85 -25.1 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.943 -1.026 . . . . 50.0 112.407 -174.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.06 -43.98 70.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.34 0.591 . . . . 50.0 109.622 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.04 64.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.93 -175.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.58 -38.64 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.737 -0.838 . . . . 50.0 108.737 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -80.42 -30.47 37.69 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.264 -0.425 . . . . 50.0 111.152 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -35.47 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.967 -0.458 . . . . 25.0 110.243 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.5 t -72.64 -42.97 62.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.378 -0.601 . . . . 50.0 109.378 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -69.16 -47.83 63.92 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.951 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -36.0 82.4 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.45 -0.204 . . . . 50.0 110.45 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -61.39 -46.61 89.45 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.071 -0.652 . . . . 50.0 109.531 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.09 -21.45 54.3 Favored 'General case' 0 C--O 1.208 -1.108 0 C-N-CA 119.314 -0.954 . . . . 50.0 110.083 -175.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.43 -28.13 69.77 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.223 0.535 . . . . 25.0 110.593 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -102.24 -22.85 14.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.497 0.665 . . . . 50.0 110.627 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' ' 66' ' ' ASP . 30.2 m-80 -95.26 18.04 13.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.558 -0.904 . . . . 50.0 108.558 175.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.39 23.99 2.7 Favored Glycine 0 C--O 1.218 -0.844 0 CA-C-N 115.721 -0.672 . . . . 25.0 113.5 -176.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 64' ' ' ASN . 6.3 t0 -115.85 -10.72 11.65 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 120.734 0.302 . . . . 25.0 110.685 170.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.12 -155.66 31.89 Favored Glycine 0 N--CA 1.436 -1.356 0 CA-C-O 122.896 1.276 . . . . 50.0 111.53 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.3 pt-20 -153.88 162.76 40.96 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 113.747 -1.227 . . . . 50.0 110.039 -170.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 m -142.6 168.64 13.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 123.799 0.687 . . . . 50.0 111.021 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -119.67 -174.18 2.69 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.625 -1.62 . . . . 50.0 106.625 174.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -52.46 -47.47 66.44 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.793 1.035 . . . . 50.0 113.793 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.76 -46.02 77.96 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.532 0.606 . . . . 50.0 110.911 -177.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.22 -39.65 68.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.997 0.903 . . . . 50.0 109.358 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -39.79 91.8 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.358 -0.837 . . . . 50.0 109.915 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.07 -36.14 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.416 -0.178 . . . . 50.0 110.594 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.3 t -57.25 -45.25 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.307 -0.627 . . . . 50.0 109.307 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.03 -36.06 72.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.6 -178.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.6 -43.84 96.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.864 -0.421 . . . . 50.0 109.864 176.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.39 83.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.066 -0.396 . . . . 25.0 110.373 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.99 99.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.181 0.515 . . . . 25.0 110.631 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.45 -33.69 71.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.25 0.547 . . . . 50.0 109.944 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.7 m -64.23 -43.73 94.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.097 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.2 m -72.39 -19.0 19.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 O-C-N 121.68 -0.638 . . . . 50.0 112.341 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.689 0 CA-C-O 121.865 0.84 . . . . 25.0 111.192 170.467 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 107.978 -1.119 . . . . 25.0 107.978 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -61.18 -35.67 77.79 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.207 0.527 . . . . 75.0 110.733 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.81 -42.32 97.71 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 121.75 0.786 . . . . 50.0 110.077 176.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -69.35 -35.85 76.3 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 121.707 -0.62 . . . . 50.0 111.467 -175.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.6 p -73.84 -25.34 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.573 -0.451 . . . . 25.0 110.03 175.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.67 92.49 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 173.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 92.6 mmm -70.7 -33.44 70.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.908 0.707 . . . . 50.0 112.908 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.57 -27.01 65.69 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.294 -0.632 . . . . 50.0 109.294 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.1 m -64.63 -43.21 94.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.433 -0.349 . . . . 25.0 110.348 173.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.24 -36.82 81.03 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.373 -0.603 . . . . 50.0 109.373 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.7 mt -65.88 -45.5 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.385 -0.598 . . . . 50.0 109.385 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -58.9 -45.0 91.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.91 0.386 . . . . 75.0 111.034 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 76.3 t -67.19 -43.73 88.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 50.0 111.29 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -59.86 -44.17 94.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.406 0.622 . . . . 50.0 109.507 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -68.09 -18.65 64.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.191 0.811 . . . . 50.0 113.191 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.45 89.48 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.897 -0.502 . . . . 25.0 111.62 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -101.87 -16.58 16.52 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 -177.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.7 p -64.55 157.04 27.95 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.345 1.239 . . . . 25.0 114.345 -174.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.283 0 N-CA-C 117.498 1.759 . . . . 25.0 117.498 176.226 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 108.625 -0.88 . . . . 50.0 108.625 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -140.98 129.24 22.27 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 108.928 -0.767 . . . . 50.0 108.928 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 2.0 m -67.47 145.75 54.66 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.303 -0.248 . . . . 50.0 111.109 -177.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -59.26 -46.07 89.5 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.035 1.124 . . . . 50.0 114.035 -174.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -32.72 68.0 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.932 0.787 . . . . 50.0 112.373 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -77.89 -28.42 49.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.592 0.711 . . . . 50.0 110.008 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.75 -34.5 78.02 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.002 -0.437 . . . . 50.0 110.026 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -62.16 -34.7 76.91 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 120.387 -0.525 . . . . 50.0 110.669 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.97 -47.58 84.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.681 -0.859 . . . . 50.0 108.681 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.93 -46.06 92.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.785 -0.643 . . . . 50.0 109.665 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.43 -29.19 70.25 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 121.357 0.598 . . . . 50.0 111.801 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.87 -19.49 40.82 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.199 0.6 . . . . 50.0 110.822 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 45.0 m -99.6 -59.91 1.63 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.643 -0.708 . . . . 25.0 112.267 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -83.94 -27.19 28.69 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 113.016 0.747 . . . . 50.0 113.016 -176.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 tp -106.36 13.61 28.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.621 0.724 . . . . 50.0 109.583 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.24 -39.98 57.84 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.566 1.691 . . . . 50.0 115.566 177.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.27 -34.83 63.97 Favored Glycine 0 C--O 1.224 -0.528 0 N-CA-C 110.956 -0.858 . . . . 50.0 110.956 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -69.52 -31.03 69.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.91 -0.759 . . . . 50.0 109.04 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.87 -39.26 76.44 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.719 0.295 . . . . 50.0 110.503 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -67.96 -30.34 69.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.885 0.85 . . . . 50.0 110.41 176.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.3 29.03 2.99 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 115.58 -0.736 . . . . 25.0 109.304 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -67.07 150.67 48.88 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.068 -1.086 . . . . 50.0 108.068 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -138.28 -49.25 0.55 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.394 -1.336 . . . . 50.0 107.394 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -78.85 89.57 4.67 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 115.296 -0.865 . . . . 50.0 109.39 172.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 30.3 m -67.95 -24.09 29.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 116.463 -0.335 . . . . 50.0 110.937 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.14 -39.87 60.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.56 0.695 . . . . 50.0 109.578 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.65 -36.79 37.28 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.394 0.516 . . . . 25.0 112.394 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.29 -39.03 84.06 Favored 'Isoleucine or valine' 0 C--O 1.248 1.005 0 N-CA-C 108.604 -0.887 . . . . 50.0 108.604 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -79.11 -24.46 43.4 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 121.911 0.863 . . . . 50.0 111.371 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -60.35 -27.33 67.3 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.571 -0.74 . . . . 25.0 111.15 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -85.52 -45.08 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.578 0.704 . . . . 50.0 109.617 176.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 8.6 mmt -66.8 -54.2 25.04 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.934 -0.575 . . . . 50.0 112.543 -173.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -35.33 79.94 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 121.159 -0.216 . . . . 50.0 110.584 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.21 -49.34 78.0 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.505 -0.478 . . . . 50.0 109.989 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.8 -20.38 56.47 Favored 'General case' 0 C--O 1.209 -1.036 0 C-N-CA 119.521 -0.871 . . . . 50.0 109.894 -175.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.55 -26.44 67.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 25.0 110.432 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -100.54 -26.59 13.79 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.555 0.693 . . . . 50.0 110.348 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' B' ' 66' ' ' ASP . 54.1 m-80 -95.39 21.98 7.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 50.0 109.669 177.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.54 24.23 2.7 Favored Glycine 0 C--O 1.215 -1.073 0 CA-C-N 115.726 -0.67 . . . . 25.0 112.826 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' B' ' 64' ' ' ASN . 4.6 t0 -115.86 -7.78 12.0 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 122.586 -0.361 . . . . 25.0 111.287 170.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.82 -157.86 32.82 Favored Glycine 0 N--CA 1.435 -1.428 0 N-CA-C 109.619 -1.392 . . . . 50.0 109.619 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 12.3 pt-20 -151.96 164.61 36.8 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.127 -1.037 . . . . 50.0 110.363 -174.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.33 172.74 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.449 -0.796 . . . . 50.0 109.479 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -119.9 -174.07 2.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.127 -1.805 . . . . 50.0 106.127 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -54.79 -47.01 74.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.287 0.847 . . . . 50.0 113.287 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -55.25 -48.09 74.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 118.186 0.448 . . . . 50.0 110.917 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -68.48 -43.76 76.24 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 108.669 -0.863 . . . . 50.0 108.669 -173.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -41.04 82.61 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.275 -0.875 . . . . 50.0 110.571 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.2 t -71.78 -36.62 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 122.171 -0.331 . . . . 50.0 111.076 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.21 -43.97 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 109.638 -0.504 . . . . 50.0 109.638 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.2 mt -69.76 -36.62 75.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.094 0.473 . . . . 50.0 110.788 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.7 t -62.16 -44.72 99.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.164 -0.68 . . . . 50.0 109.164 175.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.87 88.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.018 -0.426 . . . . 25.0 110.679 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.55 98.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.5 0.667 . . . . 25.0 110.503 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.35 -33.27 72.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.312 0.577 . . . . 50.0 110.099 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 51.0 m -65.11 -45.1 86.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.295 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.38 -22.13 22.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 O-C-N 121.343 -0.848 . . . . 50.0 111.431 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.965 0 CA-C-O 121.472 0.653 . . . . 25.0 111.296 172.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 N--CA 1.467 0.425 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.23 -44.06 95.52 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.404 0.621 . . . . 75.0 110.831 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.54 -41.77 92.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.907 0.86 . . . . 50.0 109.648 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.18 -34.79 76.94 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 121.348 -0.845 . . . . 50.0 111.598 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 p -71.3 -27.89 63.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 120.113 -0.635 . . . . 25.0 109.775 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.03 -46.77 82.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.3 mmm -71.81 -32.78 67.94 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.064 0.764 . . . . 50.0 113.064 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -69.8 -25.86 63.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.75 -0.833 . . . . 50.0 108.75 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.8 m -67.44 -42.91 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.081 -0.387 . . . . 25.0 110.615 171.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.44 -34.5 74.07 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 108.835 -0.802 . . . . 50.0 108.835 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.21 -48.7 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 109.107 -0.701 . . . . 50.0 109.107 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -57.63 -50.36 73.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.073 0.463 . . . . 50.0 110.436 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.72 -45.78 97.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.631 -0.713 . . . . 50.0 112.279 -177.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -61.2 -47.86 84.18 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.674 -0.641 . . . . 50.0 110.535 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -74.08 -13.87 60.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.088 0.773 . . . . 50.0 113.088 -174.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.61 -54.18 48.96 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 117.995 0.361 . . . . 25.0 111.481 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.306 13.9 p80 -126.91 30.05 5.54 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 177.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 p . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 113.852 -1.522 . . . . 25.0 108.426 162.138 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--O 1.236 0.358 0 N-CA-C 109.493 -0.558 . . . . 50.0 109.493 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.15 159.37 37.03 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.959 -0.564 . . . . 50.0 110.525 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -147.87 134.66 20.04 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.595 -1.261 . . . . 50.0 107.595 172.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.493 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 8.6 m -66.6 146.59 54.33 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.21 -0.663 . . . . 50.0 109.21 -177.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -55.8 -50.36 70.69 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.441 0.904 . . . . 50.0 113.441 -176.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -30.07 66.99 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.349 0.522 . . . . 50.0 112.255 177.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.5 -26.24 38.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.363 0.601 . . . . 50.0 110.378 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.26 -33.59 75.64 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 121.594 -0.691 . . . . 50.0 109.325 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -56.48 -36.71 69.42 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 120.826 -0.35 . . . . 50.0 110.653 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.5 -48.09 81.1 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.279 -0.637 . . . . 50.0 109.279 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.36 -43.62 98.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.628 0.728 . . . . 50.0 110.446 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.3 mt -65.66 -31.11 71.95 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.71 -0.677 . . . . 50.0 112.388 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -81.83 -22.58 36.93 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 123.028 0.531 . . . . 50.0 109.807 -178.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.1 m -88.29 -51.62 5.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.796 -0.638 . . . . 25.0 111.333 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -90.37 -44.84 9.4 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.31 0.856 . . . . 50.0 113.31 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.27 8.26 21.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.264 0.554 . . . . 50.0 110.406 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.13 -36.73 8.81 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 115.574 1.694 . . . . 50.0 115.574 175.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.35 -36.77 63.16 Favored Glycine 0 C--O 1.223 -0.557 0 C-N-CA 120.525 -0.845 . . . . 50.0 111.711 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -72.88 -28.13 62.31 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.771 -0.826 . . . . 50.0 108.771 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.75 -40.59 84.08 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 108.854 -0.795 . . . . 50.0 108.854 177.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.36 -31.6 67.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.599 0.714 . . . . 50.0 111.392 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.58 20.99 4.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 -176.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.69 153.29 28.6 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.265 -0.425 . . . . 50.0 109.931 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -133.73 -46.42 0.8 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.368 -0.975 . . . . 50.0 108.368 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -83.56 87.82 7.02 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.072 -1.084 . . . . 50.0 108.072 174.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.33 -28.24 44.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.555 -0.748 . . . . 50.0 110.148 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.8 -41.14 79.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.429 -0.582 . . . . 50.0 109.429 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.99 -37.99 33.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.024 -0.534 . . . . 25.0 112.145 -175.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.4 -39.23 84.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.328 -0.989 . . . . 50.0 108.328 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -80.42 -30.0 37.67 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.019 -0.537 . . . . 50.0 110.029 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -58.06 -42.75 86.13 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 120.522 -0.471 . . . . 25.0 109.965 176.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.7 t -69.01 -40.69 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 108.561 -0.903 . . . . 50.0 108.561 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mmt -67.66 -52.22 40.59 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.584 -0.734 . . . . 50.0 111.751 -177.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -38.97 93.1 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 121.04 -0.264 . . . . 50.0 110.571 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -60.41 -42.23 95.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.104 -0.332 . . . . 50.0 110.104 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.96 -24.35 43.96 Favored 'General case' 0 C--O 1.206 -1.221 0 C-N-CA 118.858 -1.137 . . . . 50.0 110.455 -178.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.75 -26.6 66.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.167 0.508 . . . . 25.0 110.53 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -93.09 -24.18 18.38 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 122.017 0.913 . . . . 50.0 108.71 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -95.14 17.7 13.64 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.894 -1.15 . . . . 50.0 107.894 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.64 32.52 2.13 Favored Glycine 0 C--O 1.216 -1.004 0 CA-C-N 115.873 -0.603 . . . . 25.0 113.506 -173.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -115.81 -29.87 6.27 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.356 -0.422 . . . . 25.0 110.225 174.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.51 -151.33 13.19 Favored Glycine 0 N--CA 1.441 -1.025 0 CA-C-O 122.755 1.197 . . . . 50.0 111.828 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 15.3 pt-20 -151.18 165.23 34.56 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.843 -1.178 . . . . 50.0 110.252 -169.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 m -135.89 175.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.25 -0.886 . . . . 50.0 110.027 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -127.91 -174.28 3.16 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.315 -2.106 . . . . 50.0 105.315 174.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -52.11 -49.19 64.13 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.616 0.969 . . . . 50.0 113.616 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -55.59 -44.92 77.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.655 0.661 . . . . 50.0 111.156 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -42.21 70.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.11 0.957 . . . . 50.0 109.947 -176.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -38.35 82.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.249 -0.887 . . . . 50.0 110.179 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.8 t -71.83 -35.83 56.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.613 0.244 . . . . 50.0 110.678 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.0 t -58.69 -45.73 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 109.405 -0.591 . . . . 50.0 109.405 177.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.39 -37.8 77.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.17 0.51 . . . . 50.0 111.022 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.5 t -61.54 -45.58 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.508 -0.553 . . . . 50.0 109.508 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.77 88.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.1 -0.375 . . . . 25.0 110.624 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.34 99.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.262 0.553 . . . . 25.0 110.745 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 tt -69.35 -38.08 77.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.69 0.757 . . . . 50.0 110.064 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.8 m -58.49 -44.33 89.36 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.962 -0.563 . . . . 25.0 111.294 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.09 -25.64 21.99 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 N-CA-C 113.478 0.918 . . . . 50.0 113.478 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 122.268 1.032 . . . . 25.0 109.676 174.418 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 110.913 -0.032 . . . . 25.0 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -61.42 -45.02 96.08 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.345 0.593 . . . . 75.0 110.589 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.64 -40.28 92.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.195 0.997 . . . . 50.0 109.807 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -69.05 -35.67 76.82 Favored 'General case' 0 C--N 1.314 -0.95 0 O-C-N 121.536 -0.727 . . . . 50.0 111.957 -175.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -73.06 -29.73 63.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.3 86.7 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 173.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.8 mmm -73.27 -31.03 63.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.683 0.994 . . . . 50.0 113.683 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -71.7 -24.95 61.9 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.689 -0.856 . . . . 50.0 108.689 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.1 m -66.23 -43.29 87.07 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.165 -0.334 . . . . 25.0 110.157 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.82 -33.68 73.39 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.052 -0.722 . . . . 50.0 109.052 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 69.7 mt -66.24 -47.28 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.156 -0.683 . . . . 50.0 109.156 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -58.39 -50.13 74.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.383 0.611 . . . . 75.0 110.319 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.06 -43.49 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.444 -0.798 . . . . 50.0 112.03 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -59.36 -47.35 85.75 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.676 -0.64 . . . . 50.0 109.733 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -73.85 -14.23 61.05 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.016 1.117 . . . . 50.0 114.016 -174.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.31 93.98 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 174.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -99.39 -17.1 18.16 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.413 0.894 . . . . 25.0 113.413 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.5 p -63.5 164.84 8.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.029 0.752 . . . . 25.0 113.029 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.304 0 N-CA-C 114.814 0.686 . . . . 25.0 114.814 177.493 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.251 0.548 . . . . 50.0 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -148.86 135.37 19.53 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.817 -1.549 . . . . 50.0 106.817 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.415 ' HB2' ' HD3' ' B' ' 31' ' ' LYS . 0.2 OUTLIER -65.94 150.79 48.08 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.135 -0.691 . . . . 50.0 109.135 178.239 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -62.73 -39.3 93.66 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 113.772 1.027 . . . . 50.0 113.772 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -67.1 -29.39 69.12 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.95 1.25 . . . . 50.0 109.325 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -79.93 -24.57 40.97 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.307 -0.86 . . . . 50.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 tp -66.43 -35.63 80.77 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 121.263 0.554 . . . . 50.0 109.645 175.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -60.72 -32.58 71.83 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-N 116.216 -0.447 . . . . 50.0 110.496 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -62.17 -47.37 84.83 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.993 -0.743 . . . . 50.0 108.993 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.67 -46.78 88.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.653 0.74 . . . . 50.0 109.158 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mp -63.73 -31.8 73.09 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 115.734 -0.666 . . . . 50.0 111.369 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -81.05 -22.7 39.1 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.976 -0.452 . . . . 50.0 111.054 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 62.6 m -88.68 -51.6 5.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.774 -0.648 . . . . 25.0 111.548 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -95.57 -44.14 7.63 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.842 0.682 . . . . 50.0 112.842 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 tp -84.64 9.83 12.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.727 0.775 . . . . 50.0 109.943 -178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.5 -34.91 26.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 115.125 1.528 . . . . 50.0 115.125 175.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.9 63.46 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.269 -0.967 . . . . 50.0 111.222 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -70.8 -25.53 62.91 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.04 -0.683 . . . . 50.0 109.357 176.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.2 mt -76.86 -39.62 50.51 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 117.059 -0.064 . . . . 50.0 111.045 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.66 -36.58 80.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.722 0.772 . . . . 50.0 110.601 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.96 29.76 5.24 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.748 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -62.57 159.8 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.101 -0.5 . . . . 50.0 110.013 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -135.4 -52.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.519 -0.31 . . . . 50.0 110.956 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -79.06 91.16 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.807 -0.812 . . . . 50.0 108.807 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.8 -26.8 37.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.381 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.05 -42.82 56.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.5 -0.556 . . . . 50.0 109.5 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.42 55.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 -176.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.48 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.406 -0.961 . . . . 50.0 108.406 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -80.53 -27.34 37.64 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 116.061 -0.518 . . . . 50.0 111.393 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -38.19 68.15 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 176.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.1 t -74.46 -43.4 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.316 0.579 . . . . 50.0 109.674 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.7 mmt -70.27 -50.5 38.91 Favored 'General case' 0 CA--C 1.496 -1.121 0 N-CA-C 112.826 0.676 . . . . 50.0 112.826 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -35.89 81.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.102 -0.333 . . . . 50.0 110.102 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.25 -47.42 86.13 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.298 -0.561 . . . . 50.0 109.593 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.12 -21.69 53.81 Favored 'General case' 0 C--O 1.204 -1.342 0 C-N-CA 119.316 -0.953 . . . . 50.0 110.342 -175.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.75 -28.08 68.44 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.984 0.421 . . . . 25.0 111.16 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -108.06 -15.55 14.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.313 0.578 . . . . 50.0 111.616 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -102.64 13.68 33.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.483 0.659 . . . . 50.0 109.335 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.08 -18.65 60.49 Favored Glycine 0 C--O 1.221 -0.686 0 N-CA-C 115.587 0.995 . . . . 25.0 115.587 -169.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.98 5.34 51.42 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.776 0.798 . . . . 25.0 111.328 -171.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.49 -160.39 36.29 Favored Glycine 0 N--CA 1.416 -2.669 1 N-CA-C 102.803 -4.119 . . . . 50.0 102.803 171.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.73 161.24 42.61 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 122.3 -0.529 . . . . 50.0 109.88 -175.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 m -135.56 165.62 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 114.47 -1.241 . . . . 50.0 109.543 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -118.67 -174.26 2.65 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 105.93 -1.878 . . . . 50.0 105.93 175.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -52.43 -47.22 66.51 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.808 0.67 . . . . 50.0 112.808 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -54.22 -47.57 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.177 0.444 . . . . 50.0 111.395 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -44.65 65.56 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.998 0.904 . . . . 50.0 109.602 -175.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -39.68 73.01 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.964 -1.016 . . . . 50.0 110.376 -178.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.7 t -72.18 -36.87 57.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 122.426 -0.172 . . . . 50.0 110.891 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.85 -44.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.317 0.58 . . . . 50.0 109.839 177.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.6 mt -69.57 -37.39 76.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.175 0.512 . . . . 50.0 110.356 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 t -63.12 -42.66 97.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.968 -0.56 . . . . 50.0 109.597 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.34 85.26 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.988 -0.445 . . . . 25.0 110.671 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.88 98.22 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.174 0.511 . . . . 25.0 110.363 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.52 -35.61 75.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.516 0.674 . . . . 50.0 109.852 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 63.0 m -62.1 -42.9 99.68 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.05 -0.406 . . . . 25.0 111.39 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.88 -23.86 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 121.292 -0.88 . . . . 50.0 112.053 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 122.605 1.193 . . . . 25.0 109.121 172.483 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 110.538 -0.171 . . . . 25.0 110.538 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -62.42 -46.41 88.68 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.419 0.628 . . . . 75.0 110.652 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.58 -40.05 94.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.96 0.886 . . . . 50.0 109.661 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -69.64 -35.29 75.08 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.831 -0.543 . . . . 50.0 112.305 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -73.84 -29.66 62.25 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.36 93.98 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 108.015 -1.106 . . . . 25.0 108.015 173.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.2 mmm -72.22 -32.65 66.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.739 1.014 . . . . 50.0 113.739 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.37 -23.8 61.97 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.844 -0.798 . . . . 50.0 108.844 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.2 m -65.57 -42.8 91.36 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.456 -0.338 . . . . 25.0 110.567 171.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.96 -35.01 74.06 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.935 -0.765 . . . . 50.0 108.935 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.06 -43.51 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.715 -0.476 . . . . 50.0 109.715 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.42 -45.22 94.4 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.547 0.689 . . . . 50.0 110.757 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.59 -44.57 96.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.537 -0.756 . . . . 50.0 111.14 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.01 -43.42 98.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.642 -0.661 . . . . 50.0 110.16 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -61.02 -25.3 66.81 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.496 0.718 . . . . 50.0 112.164 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.55 99.48 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.814 -0.554 . . . . 25.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -103.15 -18.07 15.09 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 113.86 1.059 . . . . 25.0 113.86 -174.727 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 110.356 -0.239 . . . . 50.0 110.356 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -125.74 145.06 50.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.391 0.615 . . . . 50.0 112.634 -177.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.19 129.56 17.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.625 -1.25 . . . . 50.0 107.625 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.2 m -63.58 144.66 56.82 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.234 0.457 . . . . 50.0 112.234 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -61.03 -47.4 86.56 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.599 0.963 . . . . 50.0 113.599 -173.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -31.43 67.08 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 120.88 0.371 . . . . 50.0 111.821 178.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -76.3 -29.81 57.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.446 0.641 . . . . 50.0 109.388 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.22 -27.14 66.12 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 121.889 -0.507 . . . . 50.0 111.694 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -62.1 -30.59 71.12 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.012 -0.675 . . . . 50.0 110.36 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -66.97 -47.37 71.78 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.796 -0.816 . . . . 50.0 108.796 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.36 -44.08 95.93 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.946 -0.57 . . . . 50.0 109.606 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.0 mt -63.54 -28.71 70.13 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 121.084 0.469 . . . . 50.0 111.519 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -81.7 -22.49 37.38 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 122.009 -0.432 . . . . 50.0 111.604 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.2 m -97.19 -52.79 3.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.676 -0.693 . . . . 25.0 112.843 -174.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -89.09 -31.33 18.08 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 121.096 0.474 . . . . 50.0 112.074 -177.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 tp -100.57 11.89 38.51 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.623 0.725 . . . . 50.0 109.811 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -42.09 24.83 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 116.128 1.899 . . . . 50.0 116.128 175.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.39 -30.08 61.0 Favored Glycine 0 C--O 1.226 -0.367 0 N-CA-C 110.944 -0.862 . . . . 50.0 110.944 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -71.46 -31.6 67.35 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.48 -0.933 . . . . 50.0 108.48 174.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.5 -40.42 77.0 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.878 -0.416 . . . . 50.0 109.878 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.62 -34.41 78.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.568 0.699 . . . . 50.0 111.348 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.99 28.71 4.22 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 116.026 -0.534 . . . . 25.0 110.124 -177.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.57 154.26 36.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.076 -0.713 . . . . 50.0 109.076 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -129.25 -50.41 1.19 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.428 0.633 . . . . 50.0 109.668 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -83.57 80.84 8.98 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.681 -1.229 . . . . 50.0 107.681 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.34 -23.75 33.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 114.985 -1.007 . . . . 50.0 112.422 -175.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.68 -40.81 61.18 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.387 -0.525 . . . . 50.0 110.039 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.45 -35.91 53.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.843 -0.535 . . . . 25.0 112.133 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -61.64 -37.4 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.007 -1.108 . . . . 50.0 108.007 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.83 -32.2 63.58 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 114.273 -1.331 . . . . 50.0 111.17 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -32.1 72.32 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.407 -0.517 . . . . 25.0 111.866 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -70.67 -42.46 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 107.699 -1.222 . . . . 50.0 107.699 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 mmt -66.46 -48.0 71.32 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 115.071 -0.968 . . . . 50.0 112.444 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -38.07 88.33 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.122 -0.49 . . . . 50.0 110.69 -179.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -60.87 -45.79 93.16 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 109.301 -0.629 . . . . 50.0 109.301 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.68 -23.27 45.73 Favored 'General case' 0 C--O 1.201 -1.476 0 C-N-CA 118.65 -1.22 . . . . 50.0 109.25 -172.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.65 -21.65 65.36 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.938 -0.476 . . . . 25.0 112.085 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.29 -25.11 14.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.457 0.646 . . . . 50.0 110.48 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -96.97 13.29 29.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.037 0.923 . . . . 50.0 109.577 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.87 35.93 2.7 Favored Glycine 0 CA--C 1.496 -1.101 0 CA-C-N 115.048 -0.978 . . . . 25.0 113.432 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -115.44 -26.91 7.36 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 172.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.59 -156.66 32.72 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 108.853 -1.699 . . . . 50.0 108.853 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.544 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 7.8 mp0 -141.54 158.62 43.61 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 113.66 -1.27 . . . . 50.0 110.243 -173.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.01 172.9 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 114.673 -1.149 . . . . 50.0 109.286 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -116.03 -174.53 2.56 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.401 -1.333 . . . . 50.0 107.401 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -53.97 -46.53 71.68 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 113.045 0.757 . . . . 50.0 113.045 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -55.44 -45.6 76.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 118.382 0.537 . . . . 50.0 111.058 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -74.25 -37.69 63.7 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.969 0.89 . . . . 50.0 110.059 -174.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -39.19 83.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.455 -0.793 . . . . 50.0 109.032 178.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 76.4 t -72.9 -36.54 52.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 122.439 -0.163 . . . . 50.0 110.805 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.2 t -57.36 -46.74 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 109.286 -0.635 . . . . 50.0 109.286 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.8 -37.64 79.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.066 0.46 . . . . 50.0 111.184 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 t -63.41 -44.91 99.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.788 -0.449 . . . . 50.0 109.788 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.25 84.19 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.91 -0.494 . . . . 25.0 110.177 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.88 95.08 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.075 0.464 . . . . 25.0 110.639 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.91 -36.11 75.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.133 0.492 . . . . 50.0 109.741 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.2 m -63.98 -43.4 95.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.361 -0.382 . . . . 25.0 111.763 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.01 -23.68 31.19 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 O-C-N 121.48 -0.762 . . . . 50.0 112.715 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.841 0 CA-C-O 121.492 0.663 . . . . 25.0 111.976 171.845 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -59.84 -44.76 93.91 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.28 0.562 . . . . 75.0 111.246 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.9 -39.57 90.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.832 0.825 . . . . 50.0 110.141 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.63 -38.45 89.43 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.495 -0.753 . . . . 50.0 111.223 -177.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.8 p -72.54 -27.89 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.165 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.8 80.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 174.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.6 mmm -71.58 -31.82 67.38 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.149 0.796 . . . . 50.0 113.149 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.08 -28.47 67.39 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.053 -0.721 . . . . 50.0 109.053 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.9 m -65.86 -43.19 89.13 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 122.116 -0.365 . . . . 25.0 110.327 172.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.02 -36.02 80.31 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.805 -0.813 . . . . 50.0 108.805 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.9 mt -66.55 -47.7 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 109.337 -0.616 . . . . 50.0 109.337 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -57.6 -50.94 71.5 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.253 0.549 . . . . 75.0 111.262 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.76 -34.02 58.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-N 115.841 -0.618 . . . . 50.0 112.141 -175.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.26 -45.66 92.32 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.224 -0.922 . . . . 50.0 109.074 171.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -67.59 -16.54 64.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.484 -0.78 . . . . 50.0 112.652 -176.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.85 -42.67 73.24 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.623 -0.673 . . . . 25.0 110.757 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -95.8 -12.37 25.41 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 82.3 p -64.39 160.22 19.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.649 0.738 . . . . 25.0 111.684 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.662 0 C-N-CA 120.583 -0.817 . . . . 25.0 114.577 178.679 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm . . . . . 0 CA--C 1.515 -0.372 0 CA-C-O 121.172 0.51 . . . . 50.0 110.632 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.21 136.02 29.49 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 106.113 -1.81 . . . . 50.0 106.113 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.55 150.93 45.6 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.857 -0.794 . . . . 50.0 108.857 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -63.68 -42.29 98.06 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 113.937 1.088 . . . . 50.0 113.937 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -29.92 71.0 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.038 -1.039 . . . . 50.0 109.678 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -80.56 -24.08 39.49 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.551 -0.749 . . . . 50.0 110.365 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.25 -36.6 83.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.703 -0.623 . . . . 50.0 109.633 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -61.2 -32.76 72.53 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.288 -0.415 . . . . 50.0 110.394 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -62.58 -47.65 82.88 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.912 -0.773 . . . . 50.0 108.912 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.15 -46.48 88.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.665 0.745 . . . . 50.0 109.343 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mp -64.17 -32.33 73.87 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.683 -0.69 . . . . 50.0 111.698 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.9 -22.32 36.9 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.828 -0.545 . . . . 50.0 110.834 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 66.4 m -86.75 -50.54 6.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.852 -0.613 . . . . 25.0 111.323 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.87 -45.08 6.44 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.609 0.966 . . . . 50.0 113.609 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.0 tp -83.75 9.32 12.11 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.643 0.735 . . . . 50.0 109.743 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -37.0 43.4 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 114.946 1.462 . . . . 50.0 114.946 175.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.02 -37.17 73.46 Favored Glycine 0 C--O 1.229 -0.194 0 C-N-CA 120.33 -0.938 . . . . 50.0 110.818 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -71.01 -30.0 66.11 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.883 -0.775 . . . . 50.0 109.308 176.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.99 -41.16 78.22 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.844 -0.428 . . . . 50.0 109.844 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -67.39 -32.94 74.18 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.468 0.652 . . . . 50.0 111.559 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.68 29.39 4.52 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 116.06 -0.518 . . . . 25.0 110.502 -176.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -64.86 153.6 39.71 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.446 -0.576 . . . . 50.0 109.446 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -124.95 -53.21 1.65 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.295 -0.631 . . . . 50.0 109.295 175.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -81.05 84.25 6.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.686 0.755 . . . . 50.0 109.373 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.9 m -62.51 -23.78 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.11 -0.95 . . . . 50.0 112.614 -175.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.422 ' CG ' ' HZ2' ' B' ' 56' ' ' LYS . 17.0 t70 -75.56 -39.08 58.68 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.884 -0.51 . . . . 50.0 110.28 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.76 -38.53 58.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.774 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -63.22 -37.61 79.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 122.061 0.934 . . . . 50.0 108.621 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -76.02 -30.47 58.5 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.797 -1.092 . . . . 50.0 111.327 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.422 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -62.51 -36.0 81.17 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.547 -0.461 . . . . 25.0 111.594 -179.136 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.02 -43.03 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 122.195 0.998 . . . . 50.0 108.765 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.5 mmt -68.54 -49.59 58.36 Favored 'General case' 0 CA--C 1.493 -1.238 0 CA-C-N 115.122 -0.945 . . . . 50.0 112.766 -175.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -35.08 79.59 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 123.101 0.251 . . . . 50.0 110.341 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.19 -48.42 81.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.915 -0.772 . . . . 50.0 108.915 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.69 -19.55 48.68 Favored 'General case' 0 C--O 1.21 -1.001 0 C-N-CA 119.354 -0.938 . . . . 50.0 111.357 -174.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -60.29 -28.93 68.49 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.082 0.468 . . . . 25.0 111.102 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -108.19 -22.07 12.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.333 0.587 . . . . 50.0 111.804 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -96.93 14.04 26.8 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.614 0.721 . . . . 50.0 110.29 178.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.17 -21.85 59.97 Favored Glycine 0 C--O 1.22 -0.762 0 N-CA-C 115.412 0.925 . . . . 25.0 115.412 -171.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.65 4.65 50.8 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.831 0.824 . . . . 25.0 110.617 -172.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.28 -157.53 33.53 Favored Glycine 0 N--CA 1.418 -2.554 0 N-CA-C 104.259 -3.536 . . . . 50.0 104.259 172.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -152.36 168.25 26.06 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 122.23 -0.571 . . . . 50.0 109.513 -174.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.66 167.16 18.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.135 -0.938 . . . . 50.0 109.124 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -119.64 -174.33 2.72 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 105.595 -2.002 . . . . 50.0 105.595 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -52.79 -47.74 67.37 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 113.279 0.844 . . . . 50.0 113.279 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -53.94 -47.5 71.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.392 0.542 . . . . 50.0 110.99 -177.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -71.89 -44.5 63.64 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 121.834 0.826 . . . . 50.0 109.057 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -40.39 72.22 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.129 -0.941 . . . . 50.0 110.188 -178.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -72.75 -38.11 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 122.28 -0.263 . . . . 50.0 111.194 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.73 -43.32 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.155 0.502 . . . . 50.0 109.699 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.84 -35.91 75.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.091 0.472 . . . . 50.0 110.831 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.3 t -64.56 -43.04 96.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 109.417 -0.586 . . . . 50.0 109.417 175.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.61 79.88 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.904 -0.498 . . . . 25.0 111.098 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.66 98.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.367 0.603 . . . . 25.0 110.207 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.17 -35.64 76.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.207 0.527 . . . . 50.0 109.81 177.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.2 m -63.86 -43.79 95.04 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.873 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.6 m -70.45 -23.83 24.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 O-C-N 121.548 -0.72 . . . . 50.0 111.992 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.765 0 CA-C-O 121.598 0.713 . . . . 25.0 111.836 172.816 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 108.852 -0.795 . . . . 25.0 108.852 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.5 -40.27 93.97 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.443 0.639 . . . . 75.0 112.262 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.69 -39.37 88.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 122.244 1.021 . . . . 50.0 108.818 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -70.08 -35.66 74.35 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 121.615 -0.678 . . . . 50.0 111.905 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.9 p -72.25 -31.26 65.64 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 176.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.86 83.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 174.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.8 mmm -71.71 -31.71 67.02 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.52 0.933 . . . . 50.0 113.52 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.66 -27.54 65.12 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.586 -0.696 . . . . 50.0 109.208 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.6 m -62.89 -44.2 96.75 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.878 0.371 . . . . 25.0 110.002 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.37 -37.07 84.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.806 -0.442 . . . . 50.0 109.806 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.29 -47.74 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.544 -0.539 . . . . 50.0 109.544 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.6 -50.17 74.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.183 0.516 . . . . 50.0 111.526 -176.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.02 -34.87 66.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 115.867 -0.606 . . . . 50.0 111.763 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -62.1 -43.78 98.1 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.203 -0.935 . . . . 50.0 109.538 172.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -67.89 -14.45 62.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.683 0.994 . . . . 50.0 113.683 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.73 82.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 120.811 -0.355 . . . . 25.0 110.779 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -96.24 -15.2 22.14 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.942 0.401 . . . . 25.0 111.88 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 121.474 0.654 . . . . 25.0 111.302 -176.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 CA--C 1.521 -0.154 0 N-CA-C 109.535 -0.543 . . . . 50.0 109.535 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -127.74 156.76 41.92 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.76 -0.655 . . . . 50.0 110.306 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.47 136.62 29.61 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 105.86 -1.904 . . . . 50.0 105.86 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.15 149.63 49.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.316 0.507 . . . . 50.0 110.18 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.89 -44.16 90.53 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.409 0.522 . . . . 50.0 112.409 -176.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -30.23 71.1 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.83 0.741 . . . . 50.0 110.459 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -76.85 -29.51 55.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.433 -0.803 . . . . 50.0 109.442 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.4 tp -68.58 -28.94 67.39 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.68 -0.637 . . . . 50.0 110.839 176.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -59.17 -33.67 71.2 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.07 -0.652 . . . . 50.0 110.224 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.64 -48.99 72.81 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.493 -0.558 . . . . 50.0 109.493 177.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.46 -43.46 93.21 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 121.338 0.59 . . . . 50.0 109.605 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.61 -32.73 74.29 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 121.179 0.514 . . . . 50.0 111.811 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -81.69 -22.43 37.45 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.845 -0.534 . . . . 50.0 111.778 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.0 m -101.55 -51.08 3.55 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -174.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -88.29 -38.01 15.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.952 0.406 . . . . 50.0 111.022 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.7 tp -93.01 8.66 38.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.428 -0.953 . . . . 50.0 108.428 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -45.92 -41.15 11.13 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 115.62 1.711 . . . . 50.0 115.62 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.16 -27.83 73.58 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.025 -1.083 . . . . 50.0 112.344 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -75.83 -28.09 58.12 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.599 -0.942 . . . . 50.0 109.409 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.53 -37.03 63.17 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 118.398 0.545 . . . . 50.0 110.163 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.25 -32.02 73.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.789 0.804 . . . . 50.0 109.97 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.1 28.06 8.41 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.45 -0.795 . . . . 25.0 111.433 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -61.89 152.82 30.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.417 -0.586 . . . . 50.0 109.417 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -125.76 -48.22 1.65 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.749 -0.463 . . . . 50.0 109.749 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -83.82 90.09 7.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.258 0.552 . . . . 50.0 109.893 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.22 -25.76 36.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.919 -0.582 . . . . 50.0 111.725 -176.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -76.63 -45.14 31.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.049 -0.722 . . . . 50.0 109.049 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.61 -38.26 67.85 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.14 -40.89 89.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.594 -0.891 . . . . 50.0 108.594 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -80.22 -30.72 38.62 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 116.1 -0.5 . . . . 50.0 111.5 -175.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.78 -35.6 68.88 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.304 -0.407 . . . . 25.0 110.631 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.5 t -77.1 -41.89 31.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.488 0.661 . . . . 50.0 109.398 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 mmt -68.06 -51.75 43.08 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 112.577 0.584 . . . . 50.0 112.577 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -34.3 77.76 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.882 -0.327 . . . . 50.0 110.32 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.16 -43.77 97.35 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.928 -0.483 . . . . 50.0 110.278 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.28 -23.25 47.29 Favored 'General case' 0 C--O 1.21 -1.012 0 C-N-CA 119.139 -1.024 . . . . 50.0 110.835 -178.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.52 -28.14 63.22 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.408 0.522 . . . . 25.0 112.408 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -107.4 -20.56 13.23 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.514 0.673 . . . . 50.0 111.718 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -97.56 13.67 29.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.57 0.7 . . . . 50.0 109.682 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.93 -12.11 70.74 Favored Glycine 0 C--O 1.216 -0.974 0 N-CA-C 117.614 1.806 . . . . 25.0 117.614 -167.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -91.12 6.9 43.12 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 122.003 0.906 . . . . 25.0 111.068 -170.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.61 -159.67 33.83 Favored Glycine 0 N--CA 1.416 -2.634 0 N-CA-C 103.725 -3.75 . . . . 50.0 103.725 174.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -148.86 165.13 32.42 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 122.312 -0.522 . . . . 50.0 110.168 -174.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.91 168.94 17.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.571 -0.74 . . . . 50.0 109.638 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -117.0 -174.1 2.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.937 -1.505 . . . . 50.0 106.937 177.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -53.11 -47.71 68.42 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 113.33 0.863 . . . . 50.0 113.33 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -54.21 -46.11 72.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.36 0.527 . . . . 50.0 110.77 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -77.67 -35.32 52.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.906 0.86 . . . . 50.0 110.746 -173.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -39.63 88.79 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.798 -0.816 . . . . 50.0 108.798 177.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 71.7 t -71.49 -36.17 59.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.686 -0.234 . . . . 50.0 110.522 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.8 t -57.44 -45.38 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 109.13 -0.692 . . . . 50.0 109.13 177.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.0 mt -69.79 -38.51 76.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.86 0.362 . . . . 50.0 111.638 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.9 t -63.48 -43.84 98.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.904 -0.406 . . . . 50.0 109.904 177.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.94 77.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.774 -0.579 . . . . 25.0 111.056 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.15 90.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.281 0.562 . . . . 25.0 110.115 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.16 -34.42 68.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.344 0.592 . . . . 50.0 110.169 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.8 m -64.42 -41.0 96.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.462 -0.336 . . . . 25.0 111.5 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.9 m -69.12 -23.96 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.04 -1.038 . . . . 50.0 112.425 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.892 0 CA-C-O 121.621 0.724 . . . . 25.0 111.119 171.603 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--O 1.235 0.306 0 N-CA-C 107.014 -1.476 . . . . 25.0 107.014 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -60.39 -30.23 69.45 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 110.289 -0.263 . . . . 75.0 110.289 173.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.68 -41.92 87.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.394 0.616 . . . . 50.0 109.77 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -66.23 -39.22 89.4 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.709 -0.396 . . . . 50.0 111.294 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.1 p -76.14 -29.1 57.68 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 110.125 -0.324 . . . . 25.0 110.125 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.96 90.21 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 173.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.4 mmm -70.51 -32.42 69.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.34 0.496 . . . . 50.0 112.34 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -29.89 69.02 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.697 -0.483 . . . . 50.0 109.697 178.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -62.93 -43.46 98.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.573 -0.528 . . . . 25.0 109.573 174.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.7 -38.7 88.82 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.677 -0.86 . . . . 50.0 108.677 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -64.19 -48.34 86.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 C-N-CA 120.313 -0.555 . . . . 50.0 109.826 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -57.89 -41.76 83.24 Favored 'General case' 0 CA--C 1.448 -2.956 0 N-CA-C 113.814 1.042 . . . . 75.0 113.814 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.31 -43.76 84.21 Favored 'Isoleucine or valine' 0 C--N 1.389 2.304 0 O-C-N 120.885 -1.135 . . . . 50.0 110.461 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -62.46 -43.05 99.76 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 122.04 0.924 . . . . 50.0 109.915 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -64.54 -22.67 67.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.11 -0.95 . . . . 50.0 112.436 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.56 -40.45 95.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.645 -0.422 . . . . 25.0 111.989 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -90.29 -23.48 21.17 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.159 -0.311 . . . . 25.0 110.159 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.6 m -56.8 137.25 55.02 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.106 -0.702 . . . . 25.0 109.106 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.194 0 C-N-CA 120.469 -0.872 . . . . 25.0 113.98 -176.287 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm . . . . . 0 CA--C 1.505 -0.758 0 N-CA-C 108.29 -1.004 . . . . 50.0 108.29 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.15 139.92 24.98 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.901 -0.778 . . . . 50.0 108.901 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.37 157.05 34.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.04 0.448 . . . . 50.0 111.895 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -66.34 -41.27 89.82 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 113.208 0.818 . . . . 50.0 113.208 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -29.5 69.49 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.224 0.92 . . . . 50.0 109.389 -176.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.98 -32.21 65.04 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.506 -1.225 . . . . 50.0 110.479 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 14.1 tp -64.66 -29.07 70.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 50.0 110.766 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -64.22 -36.31 83.65 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.667 -0.413 . . . . 50.0 110.013 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.66 -45.38 83.17 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.612 -0.884 . . . . 50.0 108.612 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.42 -46.85 87.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.303 0.573 . . . . 50.0 110.212 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mp -65.53 -29.3 69.92 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 121.184 0.516 . . . . 50.0 111.359 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -81.8 -22.29 37.2 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 121.908 -0.495 . . . . 50.0 110.476 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 57.9 m -88.46 -50.54 6.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.712 -0.676 . . . . 25.0 111.472 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -93.66 -44.88 7.96 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.285 0.846 . . . . 50.0 113.285 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tp -84.83 9.08 15.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.561 0.696 . . . . 50.0 110.173 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -36.56 15.21 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 115.342 1.608 . . . . 50.0 115.342 175.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.34 -35.41 60.14 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 120.424 -0.893 . . . . 50.0 111.476 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -72.65 -29.17 63.22 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.83 -0.806 . . . . 50.0 108.862 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mt -69.78 -39.06 76.87 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 110.013 -0.366 . . . . 50.0 110.013 176.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.05 -33.08 73.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.644 0.735 . . . . 50.0 110.939 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.84 26.18 5.35 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.808 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -63.45 157.73 22.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.354 -0.384 . . . . 50.0 110.657 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -134.32 -54.48 0.85 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.607 -0.27 . . . . 50.0 110.511 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -78.96 86.91 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.229 -1.026 . . . . 50.0 108.229 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -63.53 -28.83 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 50.0 111.029 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.95 -41.03 78.59 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 121.094 0.473 . . . . 50.0 109.791 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.48 -36.45 33.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.754 -175.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 p -66.88 -40.6 86.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.759 -0.83 . . . . 50.0 108.759 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -80.29 -29.29 38.21 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 109.673 -0.492 . . . . 50.0 109.673 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -56.38 -46.65 79.98 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-O 118.848 -0.596 . . . . 25.0 109.835 174.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.86 -40.76 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 119.087 0.858 . . . . 50.0 108.952 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.1 mmt -69.19 -48.65 61.54 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 115.726 -0.67 . . . . 50.0 112.483 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -37.14 84.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.507 0.194 . . . . 50.0 110.509 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.25 -41.92 97.73 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.508 -0.553 . . . . 50.0 109.508 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.42 -24.45 36.89 Favored 'General case' 0 C--O 1.204 -1.331 0 C-N-CA 118.794 -1.162 . . . . 50.0 111.895 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.93 -29.86 65.48 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -102.48 -20.26 14.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.659 0.742 . . . . 50.0 110.799 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -96.83 12.81 30.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.44 -0.8 . . . . 50.0 108.933 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.11 -21.52 66.03 Favored Glycine 0 C--O 1.222 -0.615 0 N-CA-C 115.46 0.944 . . . . 25.0 115.46 -169.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.91 4.23 50.62 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.839 0.828 . . . . 25.0 110.207 -174.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.09 -154.93 30.41 Favored Glycine 0 N--CA 1.421 -2.322 0 N-CA-C 104.48 -3.448 . . . . 50.0 104.48 172.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -150.25 171.01 17.64 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 121.983 -0.716 . . . . 50.0 110.344 -174.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.99 168.59 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.559 -1.2 . . . . 50.0 108.569 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -125.37 -174.04 2.97 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 104.864 -2.272 . . . . 50.0 104.864 173.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -54.13 -49.03 70.12 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.606 0.965 . . . . 50.0 113.606 177.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -55.27 -44.15 75.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.138 0.426 . . . . 50.0 111.026 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.51 -49.02 67.93 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 122.341 1.067 . . . . 50.0 108.649 -175.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -38.83 83.23 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.565 -1.198 . . . . 50.0 111.117 -174.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -72.36 -36.26 54.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.75 -0.38 . . . . 50.0 110.857 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.8 -43.12 96.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.345 -0.613 . . . . 50.0 109.345 177.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.7 mt -68.53 -37.96 80.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.085 0.469 . . . . 50.0 110.686 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 10.3 t -62.55 -45.07 99.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.484 -0.561 . . . . 50.0 109.484 176.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.94 84.82 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.062 -0.399 . . . . 25.0 110.812 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.34 96.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.065 0.459 . . . . 25.0 110.409 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.44 -37.28 82.75 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.469 -0.567 . . . . 50.0 109.469 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 89.9 m -60.13 -46.8 88.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.196 -0.456 . . . . 25.0 110.981 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.55 -28.64 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 119.195 0.907 . . . . 50.0 111.965 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.67 0 CA-C-O 121.326 0.584 . . . . 25.0 110.845 175.591 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.553 0 CA-C-O 119.44 -0.645 . . . . 25.0 111.73 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.9 p -69.63 176.7 3.37 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 107.487 -1.301 . . . . 25.0 107.487 171.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.82 -39.91 93.43 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.472 0.578 . . . . 75.0 110.111 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.6 -43.84 92.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.802 0.811 . . . . 50.0 109.989 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.12 -33.36 73.34 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 121.536 -0.728 . . . . 50.0 112.053 -177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 p -71.59 -28.33 63.74 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 118.445 0.566 . . . . 25.0 109.563 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.25 90.35 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.3 mmm -71.05 -32.33 69.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.176 0.806 . . . . 50.0 113.176 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -71.53 -24.77 62.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.065 -0.717 . . . . 50.0 109.065 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.8 m -66.74 -42.25 86.52 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.112 -0.368 . . . . 25.0 110.243 170.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -33.1 72.06 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.399 -0.593 . . . . 50.0 109.399 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.2 mt -67.58 -46.63 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.298 -0.63 . . . . 50.0 109.298 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -57.87 -47.25 83.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.184 0.516 . . . . 50.0 110.291 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.66 -42.16 94.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.592 -0.731 . . . . 50.0 111.864 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.98 -43.82 98.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.484 -0.76 . . . . 50.0 109.635 176.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -71.32 -14.19 62.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.559 0.948 . . . . 50.0 113.559 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.15 67.67 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.129 -0.323 . . . . 25.0 110.129 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -109.7 -16.78 13.84 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.443 0.534 . . . . 25.0 112.443 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.1 p -64.23 162.15 15.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.556 0.693 . . . . 25.0 111.056 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.08 -2.08 74.9 Favored Glycine 0 C--O 1.227 -0.299 0 C-N-CA 119.838 -1.172 . . . . 25.0 114.429 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -55.8 -42.09 75.12 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 121.894 0.854 . . . . 50.0 109.149 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -77.39 -28.46 52.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.287 -1.324 . . . . 50.0 113.344 -175.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.67 -30.08 4.3 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.63 -0.714 . . . . 50.0 113.237 -174.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -90.18 129.98 36.38 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.639 -1.615 . . . . 50.0 106.639 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -84.31 -14.82 48.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.624 0.601 . . . . 25.0 112.624 -170.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -106.75 11.62 30.02 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.163 -0.68 . . . . 50.0 109.163 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -132.85 158.96 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.479 -0.782 . . . . 50.0 109.395 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -143.24 134.1 25.39 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.08 -1.452 . . . . 50.0 107.08 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.16 147.75 52.91 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.757 -0.46 . . . . 50.0 109.757 178.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.57 -42.16 96.07 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.816 1.043 . . . . 50.0 113.816 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -30.85 71.72 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.348 0.976 . . . . 50.0 110.051 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -77.09 -25.49 52.33 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.589 -0.732 . . . . 50.0 109.815 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.57 -36.45 80.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.788 -0.57 . . . . 50.0 110.565 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -58.82 -33.73 70.72 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.694 -0.402 . . . . 50.0 110.529 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -63.47 -48.31 78.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.679 -0.489 . . . . 50.0 109.679 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 tt -59.06 -46.71 87.57 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.059 -0.719 . . . . 50.0 109.059 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.71 -32.31 73.4 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.544 -0.753 . . . . 50.0 111.829 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.48 -22.52 38.0 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 122.024 -0.422 . . . . 50.0 111.326 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.5 m -92.25 -56.25 3.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.89 -0.596 . . . . 25.0 112.054 -176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -87.93 -38.36 15.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 112.445 0.535 . . . . 50.0 112.445 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -90.68 8.14 35.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.351 0.596 . . . . 50.0 110.195 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.19 -37.5 15.94 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 115.748 1.759 . . . . 50.0 115.748 176.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.12 64.67 Favored Glycine 0 C--O 1.225 -0.452 0 C-N-CA 120.543 -0.837 . . . . 50.0 111.219 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -74.48 -27.31 60.51 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.739 -0.859 . . . . 50.0 109.152 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.24 -40.29 74.55 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.174 -0.676 . . . . 50.0 109.174 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.35 -29.18 69.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.661 0.743 . . . . 50.0 110.651 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.34 17.55 19.85 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.797 -0.638 . . . . 25.0 111.259 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.31 148.36 37.14 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.575 0.703 . . . . 50.0 110.524 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -122.78 -46.19 2.13 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.335 -0.987 . . . . 50.0 108.335 176.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -86.33 85.98 7.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.569 -0.742 . . . . 50.0 109.359 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.68 -22.94 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.052 -0.976 . . . . 50.0 110.809 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -72.91 -51.05 20.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.213 0.53 . . . . 50.0 109.679 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.43 74.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -174.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.69 -40.91 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 108.393 -0.965 . . . . 50.0 108.393 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.36 -29.54 37.92 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.065 0.46 . . . . 50.0 110.726 -176.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -33.11 67.6 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.211 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.7 t -83.29 -42.98 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.592 -0.521 . . . . 50.0 109.592 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.7 mmt -66.47 -53.69 32.5 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 112.853 0.686 . . . . 50.0 112.853 -175.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -35.31 80.01 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.715 -0.394 . . . . 50.0 110.562 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -62.35 -43.13 99.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.71 -0.396 . . . . 50.0 110.476 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.94 -23.86 48.4 Favored 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 119.168 -1.013 . . . . 50.0 110.189 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.52 -25.13 67.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.843 0.354 . . . . 25.0 111.9 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -100.2 -25.95 14.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.617 0.722 . . . . 50.0 110.289 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -97.15 17.13 17.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.607 -0.724 . . . . 50.0 110.321 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.0 -20.72 67.12 Favored Glycine 0 C--O 1.219 -0.824 0 N-CA-C 115.3 0.88 . . . . 25.0 115.3 -169.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -89.03 6.02 41.65 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 122.063 0.935 . . . . 25.0 110.455 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.19 -155.32 30.96 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 104.857 -3.297 . . . . 50.0 104.857 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -153.44 168.98 24.3 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.949 -0.736 . . . . 50.0 109.892 -175.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.6 168.82 16.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.073 -0.967 . . . . 50.0 108.995 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -121.24 -174.34 2.82 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.095 -1.816 . . . . 50.0 106.095 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -53.97 -47.98 70.79 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 113.342 0.867 . . . . 50.0 113.342 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.42 -45.39 76.75 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.935 -0.478 . . . . 50.0 110.831 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -45.17 69.9 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.25 1.024 . . . . 50.0 109.101 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.8 -40.32 79.63 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.606 -1.179 . . . . 50.0 110.265 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.12 -36.85 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 122.26 -0.275 . . . . 50.0 111.011 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.29 -45.84 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 109.266 -0.642 . . . . 50.0 109.266 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.3 mt -70.0 -37.94 75.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.015 -0.539 . . . . 50.0 110.963 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.1 t -62.09 -44.94 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.479 -0.563 . . . . 50.0 109.479 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.49 -36.96 85.43 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.103 -0.373 . . . . 25.0 110.861 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.45 95.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.162 0.506 . . . . 25.0 110.467 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.92 -36.21 79.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.315 0.578 . . . . 50.0 109.743 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.4 m -61.08 -44.92 96.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.169 -0.468 . . . . 25.0 111.083 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.4 m -71.78 -28.44 30.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 120.879 -1.138 . . . . 50.0 111.914 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.34 -20.53 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.252 0.548 . . . . 25.0 110.862 175.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -102.36 -15.35 16.57 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.811 -1.181 . . . . 25.0 112.293 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -52.26 -20.91 2.96 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.863 1.06 . . . . 25.0 113.863 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -48.75 -15.81 0.1 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.165 0.986 . . . . 50.0 113.634 169.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -51.63 -33.95 35.62 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.776 -0.577 . . . . 75.0 112.182 173.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -94.53 12.43 27.44 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.95 0.722 . . . . 50.0 112.95 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -116.01 103.36 10.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.154 0.978 . . . . 50.0 109.404 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.01 85.29 7.37 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.053 -0.976 . . . . 50.0 110.161 -176.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.4 p . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.255 -1.355 . . . . 25.0 110.287 176.183 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.459 0 CA-C-O 119.567 -0.574 . . . . 25.0 111.872 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -69.42 -177.77 1.24 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 173.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -63.24 -42.77 99.24 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.885 -0.509 . . . . 75.0 109.792 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.64 -43.54 89.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.762 0.791 . . . . 50.0 109.941 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.49 -32.92 73.24 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.346 -0.846 . . . . 50.0 112.073 -175.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.9 p -73.4 -30.11 63.04 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.82 84.56 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 173.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.3 mmm -70.6 -32.35 69.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.534 0.938 . . . . 50.0 113.534 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.99 -25.69 62.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.67 -0.644 . . . . 50.0 109.326 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -65.03 -42.13 94.62 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 122.143 -0.348 . . . . 25.0 110.105 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.52 -32.89 73.9 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.452 -0.573 . . . . 50.0 109.452 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -68.35 -47.41 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 109.147 -0.686 . . . . 50.0 109.147 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.86 -49.64 76.98 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.25 0.548 . . . . 75.0 110.837 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 p -72.76 -29.81 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 115.843 -0.617 . . . . 50.0 112.517 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.34 -45.13 95.68 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.885 -1.135 . . . . 50.0 108.978 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -66.54 -19.82 65.87 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.472 -0.786 . . . . 50.0 112.119 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.84 -28.22 69.4 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.749 -0.594 . . . . 25.0 112.293 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -116.99 0.25 12.36 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.68 0.252 . . . . 25.0 111.68 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.6 p -75.19 170.98 14.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.024 0.75 . . . . 25.0 113.024 -174.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.18 19.42 59.04 Favored Glycine 0 CA--C 1.508 -0.35 0 N-CA-C 116.745 1.458 . . . . 25.0 116.745 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -67.8 -36.0 79.64 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.991 1.395 . . . . 50.0 108.367 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -82.94 -3.74 57.41 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.912 -1.04 . . . . 50.0 112.252 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.86 -30.28 9.64 Favored Glycine 0 N--CA 1.462 0.412 0 CA-C-N 115.28 -0.873 . . . . 50.0 114.352 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -85.1 125.6 32.92 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 106.764 -1.569 . . . . 50.0 106.764 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -92.7 -8.25 44.46 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -170.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -96.97 8.13 45.13 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.897 -1.52 . . . . 50.0 106.897 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -130.36 160.83 32.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.409 -0.814 . . . . 50.0 109.648 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 tp -151.58 138.93 19.4 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 106.453 -1.684 . . . . 50.0 106.453 176.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.15 148.03 51.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.999 0.818 . . . . 50.0 109.676 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -59.41 -43.56 92.99 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.539 1.311 . . . . 50.0 114.539 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -30.11 70.98 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.25 0.932 . . . . 50.0 110.263 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -77.92 -24.4 48.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.367 -0.833 . . . . 50.0 109.529 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 24.8 tp -69.2 -36.11 76.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.91 0.386 . . . . 50.0 110.416 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -57.0 -34.31 68.01 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.458 -0.337 . . . . 50.0 110.945 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.56 -48.81 79.28 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.902 -0.407 . . . . 50.0 109.902 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.33 -45.6 90.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.658 0.742 . . . . 50.0 109.161 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.93 -30.12 70.65 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 115.919 -0.582 . . . . 50.0 111.762 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -81.85 -22.46 36.96 Favored 'General case' 0 C--N 1.316 -0.889 0 O-C-N 121.499 -0.751 . . . . 50.0 110.566 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.4 m -88.85 -56.4 3.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.772 -0.649 . . . . 25.0 111.184 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -92.53 -31.83 15.07 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.844 1.053 . . . . 50.0 113.844 -174.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 tp -95.13 9.57 39.11 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.998 -0.742 . . . . 50.0 108.998 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.3 t -48.36 -37.15 16.02 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.526 1.676 . . . . 50.0 115.526 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.61 -34.24 57.1 Favored Glycine 0 C--O 1.225 -0.438 0 C-N-CA 120.482 -0.866 . . . . 50.0 111.222 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -73.45 -29.45 62.55 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.704 -0.85 . . . . 50.0 108.704 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.78 -39.09 80.36 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.488 -0.56 . . . . 50.0 109.488 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.93 -30.06 69.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.463 0.649 . . . . 50.0 111.689 177.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.3 18.88 14.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.099 -0.501 . . . . 25.0 111.34 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -61.32 149.25 38.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.532 0.682 . . . . 50.0 110.959 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -127.35 -46.7 1.47 Allowed 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.331 -0.618 . . . . 50.0 109.331 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -83.76 85.85 7.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 176.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.49 -27.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.544 -0.753 . . . . 50.0 110.445 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.17 -40.14 74.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.311 0.577 . . . . 50.0 109.465 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.93 -36.83 41.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 25.0 112.217 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.4 p -64.98 -40.13 88.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.178 -1.045 . . . . 50.0 108.178 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -80.3 -27.74 38.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.94 -0.573 . . . . 50.0 111.231 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.67 -32.69 65.66 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.764 -0.458 . . . . 25.0 109.764 176.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.6 -45.7 18.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.539 -0.464 . . . . 50.0 110.391 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.6 mmt -67.54 -49.95 60.92 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 113.26 0.837 . . . . 50.0 113.26 -174.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -36.31 83.61 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.785 -0.366 . . . . 50.0 110.026 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.74 -43.03 94.66 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.972 -0.291 . . . . 50.0 110.832 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.31 -24.32 54.35 Favored 'General case' 0 C--O 1.201 -1.463 0 C-N-CA 119.343 -0.943 . . . . 50.0 109.157 -176.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.3 -22.4 66.94 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.863 -0.523 . . . . 25.0 112.225 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -103.55 -23.41 13.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.352 0.596 . . . . 50.0 110.91 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -97.68 13.38 30.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.622 0.725 . . . . 50.0 110.378 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.7 -17.34 69.0 Favored Glycine 0 C--O 1.219 -0.793 0 N-CA-C 116.491 1.357 . . . . 25.0 116.491 -167.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -89.71 3.0 54.11 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.593 0.711 . . . . 25.0 110.461 -172.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.43 -155.93 30.25 Favored Glycine 0 N--CA 1.419 -2.444 0 N-CA-C 104.989 -3.245 . . . . 50.0 104.989 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.63 166.44 31.22 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 122.237 -0.566 . . . . 50.0 110.131 -173.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.07 171.22 17.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.139 -0.937 . . . . 50.0 108.841 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -126.38 -174.0 3.01 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 105.162 -2.162 . . . . 50.0 105.162 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -53.16 -47.95 68.36 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 112.915 0.709 . . . . 50.0 112.915 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.17 -45.74 75.77 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.174 0.443 . . . . 50.0 111.272 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -47.32 65.3 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 122.319 1.056 . . . . 50.0 108.589 -175.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -40.11 81.83 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.661 -1.154 . . . . 50.0 110.857 -176.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.37 -36.93 63.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 O-C-N 122.306 -0.246 . . . . 50.0 111.066 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.62 -43.58 95.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.609 -0.515 . . . . 50.0 109.609 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.5 mt -69.36 -37.56 77.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.99 0.424 . . . . 50.0 110.803 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.4 -43.86 98.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.401 -0.592 . . . . 50.0 109.401 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.07 81.8 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.072 -0.393 . . . . 25.0 111.308 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.9 97.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.13 0.49 . . . . 25.0 110.213 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -35.97 77.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.244 0.545 . . . . 50.0 109.665 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 82.2 m -59.71 -44.97 93.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.275 -0.421 . . . . 25.0 111.003 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 29.3 m -72.44 -30.31 34.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 120.89 -1.131 . . . . 50.0 111.958 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 -24.06 67.36 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.219 0.533 . . . . 25.0 111.328 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -101.6 -14.48 17.42 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.495 -1.378 . . . . 25.0 111.615 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -42.72 -20.38 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 118.374 2.731 . . . . 25.0 118.374 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -40.71 -19.31 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 114.461 1.282 . . . . 50.0 114.461 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -56.89 -25.72 57.52 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.223 0.92 . . . . 50.0 113.319 173.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -110.87 17.15 20.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.017 0.437 . . . . 50.0 110.898 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -115.53 110.25 18.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.901 0.858 . . . . 50.0 109.751 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.37 84.39 7.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.446 -0.797 . . . . 50.0 109.534 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.327 -0.844 . . . . 25.0 109.793 176.192 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.884 0 N-CA-C 111.318 -0.713 . . . . 25.0 111.318 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -72.05 173.14 8.85 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 106.889 -1.523 . . . . 25.0 106.889 170.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.13 -35.83 81.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.23 0.538 . . . . 75.0 110.108 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.73 -43.02 94.74 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 121.876 0.846 . . . . 50.0 109.604 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.86 -33.95 75.75 Favored 'General case' 0 C--N 1.314 -0.939 0 O-C-N 121.339 -0.85 . . . . 50.0 111.561 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 p -73.41 -27.15 61.29 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.377 -0.529 . . . . 25.0 110.041 174.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.31 94.58 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 175.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.9 mmm -70.76 -33.94 71.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.126 0.787 . . . . 50.0 113.126 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.78 -27.92 66.32 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.043 -0.725 . . . . 50.0 109.043 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.4 m -64.89 -42.71 94.57 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.182 -0.324 . . . . 25.0 110.454 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.58 -34.83 74.76 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.476 -0.565 . . . . 50.0 109.476 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -67.03 -46.54 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.564 -0.532 . . . . 50.0 109.564 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.42 -47.34 84.24 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.549 0.69 . . . . 50.0 110.82 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.5 t -63.69 -43.85 98.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.279 -0.873 . . . . 50.0 111.489 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -60.8 -44.47 96.82 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.643 -0.661 . . . . 50.0 109.423 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -66.22 -18.47 65.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.583 -0.735 . . . . 50.0 112.909 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.46 -42.65 74.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.696 -0.628 . . . . 25.0 111.102 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -95.96 -15.84 22.08 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.725 0.639 . . . . 25.0 112.725 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.7 p -63.37 166.7 6.12 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -175.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.04 20.95 54.31 Favored Glycine 0 C--O 1.224 -0.521 0 C-N-CA 120.396 -0.907 . . . . 25.0 114.809 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -69.35 -32.78 72.07 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 106.63 -1.618 . . . . 50.0 106.63 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -89.15 -1.23 58.0 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.465 -1.243 . . . . 50.0 111.91 176.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.81 -30.94 9.25 Favored Glycine 0 C--O 1.225 -0.453 0 N-CA-C 115.329 0.892 . . . . 50.0 115.329 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -85.8 122.45 29.89 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.907 -0.775 . . . . 50.0 108.907 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -79.37 -8.21 58.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.767 1.025 . . . . 25.0 113.767 -173.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.66 10.91 36.61 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.36 -0.978 . . . . 50.0 108.36 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -131.31 155.27 47.49 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.75 -0.659 . . . . 50.0 110.224 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 tp -145.31 134.07 22.29 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.639 -1.615 . . . . 50.0 106.639 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 1.9 m -66.73 146.55 54.34 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 118.725 0.693 . . . . 50.0 109.658 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.09 -51.95 66.03 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.726 1.01 . . . . 50.0 113.726 -174.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -31.37 66.09 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.737 0.643 . . . . 50.0 112.737 176.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -79.0 -23.38 44.42 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.226 0.536 . . . . 50.0 110.601 -178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.88 -31.06 71.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.56 0.695 . . . . 50.0 109.985 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -60.79 -31.52 70.88 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.806 -0.633 . . . . 50.0 110.394 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.87 -47.11 84.74 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.027 -0.731 . . . . 50.0 109.027 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.41 -45.75 93.0 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.469 -0.567 . . . . 50.0 109.469 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.04 -27.79 69.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.602 0.715 . . . . 50.0 111.223 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -81.86 -22.51 36.9 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 123.214 0.605 . . . . 50.0 111.487 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 m -100.31 -60.66 1.49 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -88.13 -18.18 29.37 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.929 0.714 . . . . 50.0 112.929 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.9 tp -111.95 9.82 20.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.741 -0.663 . . . . 50.0 109.337 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.24 -38.02 38.51 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 115.178 1.547 . . . . 50.0 115.178 177.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.18 -29.27 72.16 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 120.882 -0.675 . . . . 50.0 112.083 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -79.78 -28.35 40.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.684 -0.892 . . . . 50.0 108.914 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.15 -39.81 82.54 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.866 -0.79 . . . . 50.0 108.866 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.07 -31.65 69.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.538 0.685 . . . . 50.0 111.519 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.15 18.76 7.67 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 116.355 -0.384 . . . . 25.0 110.312 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -61.53 156.22 20.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.031 0.443 . . . . 50.0 110.076 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -138.26 -45.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.54 -0.911 . . . . 50.0 108.54 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -80.89 88.84 5.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.126 -0.943 . . . . 50.0 108.558 175.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -67.25 -25.41 33.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.922 -0.581 . . . . 50.0 110.466 -176.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.55 -43.77 46.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.292 -0.633 . . . . 50.0 109.292 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.66 -38.21 62.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.37 -39.7 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.136 -1.061 . . . . 50.0 108.136 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -80.36 -28.95 37.91 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 116.093 -0.503 . . . . 50.0 111.352 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -36.25 69.46 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.92 -43.92 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.636 0.731 . . . . 50.0 109.455 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.9 mmt -67.99 -51.39 47.86 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.749 -0.66 . . . . 50.0 112.267 -175.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -37.53 87.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.127 -0.323 . . . . 50.0 110.127 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -60.78 -42.91 98.45 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.761 -0.376 . . . . 50.0 110.491 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.85 -24.01 44.62 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 118.749 -1.18 . . . . 50.0 110.457 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.9 -25.27 65.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.937 0.399 . . . . 25.0 110.877 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -93.58 -26.95 16.89 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.789 0.804 . . . . 50.0 109.014 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -95.39 17.85 13.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.17 -0.923 . . . . 50.0 109.049 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.63 29.1 1.77 Allowed Glycine 0 C--O 1.214 -1.108 0 CA-C-N 115.782 -0.644 . . . . 25.0 114.432 -173.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -116.01 -16.24 11.09 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 112.746 0.647 . . . . 25.0 112.746 168.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.79 -150.45 21.79 Favored Glycine 0 N--CA 1.441 -0.97 0 N-CA-C 110.566 -1.014 . . . . 50.0 110.566 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -149.31 168.21 23.95 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.926 -0.637 . . . . 50.0 110.836 -171.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.85 171.09 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.437 -0.802 . . . . 50.0 109.147 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -126.62 -174.14 3.05 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 105.248 -2.13 . . . . 50.0 105.248 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -53.29 -48.62 68.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.696 0.999 . . . . 50.0 113.696 176.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -56.37 -45.3 80.56 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.582 0.628 . . . . 50.0 110.997 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.25 -45.13 74.02 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 122.351 1.072 . . . . 50.0 108.845 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -39.67 84.76 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.803 -1.09 . . . . 50.0 110.61 -177.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.2 t -71.51 -36.18 59.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 122.231 -0.293 . . . . 50.0 110.654 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.5 t -58.4 -46.14 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.391 0.615 . . . . 50.0 109.507 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.32 -35.91 71.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.036 -0.529 . . . . 50.0 111.138 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 t -63.67 -43.74 98.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.454 -0.572 . . . . 50.0 109.454 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.22 -37.63 87.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.174 -0.329 . . . . 25.0 110.139 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.69 98.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 25.0 110.76 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.97 -35.13 74.21 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.366 0.603 . . . . 50.0 110.065 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -61.69 -45.7 92.88 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 122.117 -0.364 . . . . 25.0 111.211 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.9 m -68.55 -22.47 27.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.946 0 N-CA-C 113.223 0.823 . . . . 50.0 113.223 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.23 -4.79 0.89 Allowed 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 119.382 0.992 . . . . 25.0 112.716 174.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -53.05 -21.13 4.21 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 118.077 2.621 . . . . 25.0 118.077 -172.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -60.45 -26.6 66.87 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 118.885 0.766 . . . . 25.0 111.311 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -60.65 -19.76 59.04 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 113.636 0.976 . . . . 50.0 113.636 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.58 -28.09 67.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.441 0.638 . . . . 75.0 109.845 175.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -110.66 -3.43 15.86 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 112.645 0.609 . . . . 50.0 112.645 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -104.03 102.98 12.74 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 106.811 -1.552 . . . . 50.0 106.811 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -95.27 77.97 3.45 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.231 -1.35 . . . . 50.0 110.722 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.246 0.897 0 CA-C-O 117.18 -1.391 . . . . 25.0 109.608 -178.597 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.426 0 CA-C-O 119.328 -0.707 . . . . 25.0 111.606 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -65.67 169.81 5.88 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 173.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.6 -40.65 88.21 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.207 0.527 . . . . 75.0 111.63 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.81 -41.69 91.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.898 0.856 . . . . 50.0 109.965 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -65.3 -36.33 83.75 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.623 -0.673 . . . . 50.0 110.924 -176.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.6 p -72.59 -28.7 62.95 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.405 -0.518 . . . . 25.0 110.694 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.69 -44.97 92.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.893 -1.151 . . . . 25.0 107.893 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -71.6 -32.84 68.47 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.088 0.773 . . . . 50.0 113.088 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -68.39 -28.52 67.18 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.39 -0.819 . . . . 50.0 108.91 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.1 m -63.59 -44.43 94.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.777 0.322 . . . . 25.0 110.39 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.85 -35.79 77.47 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 109.354 -0.61 . . . . 50.0 109.354 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.6 -46.91 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 109.454 -0.573 . . . . 50.0 109.454 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -58.93 -44.69 91.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 75.0 111.417 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -66.84 -43.4 89.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.726 -0.67 . . . . 50.0 110.981 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.88 -44.83 96.55 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.235 -0.654 . . . . 50.0 109.235 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -66.46 -18.91 65.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.052 0.76 . . . . 50.0 113.052 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.19 -47.28 74.44 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 122.025 -0.422 . . . . 25.0 110.95 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -92.91 -16.86 24.7 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 90.1 p -62.0 165.6 5.39 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.15 17.16 61.48 Favored Glycine 0 CA--C 1.509 -0.327 0 C-N-CA 120.452 -0.88 . . . . 25.0 114.425 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -67.88 -32.21 72.55 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 107.778 -1.193 . . . . 50.0 107.778 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -91.81 -0.41 57.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.997 -1.456 . . . . 50.0 112.004 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.73 -29.76 11.01 Favored Glycine 0 N--CA 1.461 0.345 0 CA-C-N 115.666 -0.697 . . . . 50.0 114.289 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -86.34 120.36 27.61 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.469 -1.308 . . . . 50.0 107.469 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -82.85 -11.06 58.53 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 113.666 0.987 . . . . 25.0 113.666 -171.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -93.32 4.53 53.83 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.354 -0.98 . . . . 50.0 108.354 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -129.88 154.31 47.43 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.0 -0.545 . . . . 50.0 111.01 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -141.12 131.56 25.27 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 106.01 -1.848 . . . . 50.0 106.01 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.505 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 5.0 m -65.51 145.25 56.34 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.244 -0.582 . . . . 50.0 110.22 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -54.69 -51.12 66.54 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.025 0.75 . . . . 50.0 113.025 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -31.28 68.59 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 112.96 0.726 . . . . 50.0 112.96 176.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -78.38 -23.53 46.77 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 121.398 0.618 . . . . 50.0 110.196 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.22 -31.73 73.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.862 -0.524 . . . . 50.0 110.134 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -60.58 -33.06 72.16 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.128 -0.487 . . . . 50.0 110.48 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.5 -47.86 74.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.031 -0.729 . . . . 50.0 109.031 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.1 -46.21 90.35 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 109.161 -0.681 . . . . 50.0 109.161 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.1 mt -62.7 -30.24 71.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.024 -0.535 . . . . 50.0 111.624 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -81.91 -22.37 36.83 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 122.807 0.443 . . . . 50.0 111.488 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 36.7 m -94.53 -52.28 4.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.771 -0.649 . . . . 25.0 112.3 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -94.39 -25.85 16.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.079 0.77 . . . . 50.0 113.079 -174.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 tp -104.72 12.03 33.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.452 -0.944 . . . . 50.0 108.452 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -40.54 30.85 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.59 1.7 . . . . 50.0 115.59 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.63 -34.57 62.95 Favored Glycine 0 C--O 1.229 -0.181 0 C-N-CA 120.426 -0.892 . . . . 50.0 110.896 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -70.82 -31.07 67.68 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.716 -0.873 . . . . 50.0 109.387 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 mt -68.72 -39.77 80.25 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 110.032 -0.358 . . . . 50.0 110.032 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.33 -36.04 81.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.651 0.738 . . . . 50.0 111.287 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.19 28.64 3.52 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.302 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -64.67 159.55 21.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.755 -0.461 . . . . 50.0 109.755 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -132.6 -47.94 0.89 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.543 -0.54 . . . . 50.0 109.543 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -84.84 92.26 8.21 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.524 -0.547 . . . . 50.0 109.524 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -67.1 -22.16 28.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.493 -0.776 . . . . 50.0 112.363 -176.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -79.07 -50.0 11.76 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.725 . . . . 50.0 109.044 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.19 85.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.682 -0.235 . . . . 25.0 111.502 -175.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -63.74 -41.76 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.316 -0.624 . . . . 50.0 109.316 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.64 -31.31 36.53 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 120.956 0.407 . . . . 50.0 111.131 -174.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -57.9 -42.1 84.0 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 116.372 -0.377 . . . . 25.0 110.351 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 82.9 t -66.41 -40.95 87.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.762 -0.829 . . . . 50.0 108.762 -177.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.0 mmt -67.9 -49.04 64.24 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 115.817 -0.628 . . . . 50.0 112.187 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -37.97 87.94 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 121.087 -0.245 . . . . 50.0 110.561 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -61.66 -41.15 97.14 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.149 -0.315 . . . . 50.0 110.149 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.73 -23.45 45.45 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 118.927 -1.109 . . . . 50.0 110.584 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.68 -25.53 66.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.894 0.378 . . . . 25.0 110.993 -176.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -97.38 -24.64 15.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.66 0.743 . . . . 50.0 109.683 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -95.55 17.94 13.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.435 -0.802 . . . . 50.0 108.854 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.26 36.26 1.75 Allowed Glycine 0 C--O 1.22 -0.78 0 CA-C-N 115.991 -0.55 . . . . 25.0 114.116 -174.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -115.85 -29.93 6.24 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 122.647 -0.325 . . . . 25.0 111.285 175.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.53 -150.35 13.71 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-O 122.385 0.992 . . . . 50.0 112.007 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -146.67 165.09 30.61 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.177 -1.012 . . . . 50.0 110.149 -171.752 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.34 168.45 24.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.422 -0.955 . . . . 50.0 108.422 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.93 -174.13 2.7 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 106.056 -1.831 . . . . 50.0 106.056 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -52.76 -47.53 67.4 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 113.127 0.788 . . . . 50.0 113.127 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -55.0 -47.3 74.84 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.938 -0.476 . . . . 50.0 111.34 -177.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.07 -44.8 71.82 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.972 0.892 . . . . 50.0 109.124 -174.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -40.16 84.17 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.14 -0.936 . . . . 50.0 111.202 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.94 -36.23 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.275 -0.265 . . . . 50.0 110.673 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.81 -43.52 95.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.719 -0.475 . . . . 50.0 109.719 177.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.51 -35.93 73.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.052 0.454 . . . . 50.0 110.792 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.4 t -63.03 -43.53 99.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.279 -0.638 . . . . 50.0 109.279 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.67 83.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.065 -0.397 . . . . 25.0 110.759 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.46 97.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.126 0.488 . . . . 25.0 110.312 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.08 -34.26 72.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.378 0.609 . . . . 50.0 109.921 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 54.6 m -63.88 -43.62 95.5 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.056 -0.403 . . . . 25.0 111.056 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -71.25 -23.54 23.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 O-C-N 121.514 -0.741 . . . . 50.0 111.844 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.24 0.72 1.27 Allowed 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.362 -0.836 . . . . 25.0 111.094 171.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -60.86 -15.49 31.11 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.537 2.051 . . . . 25.0 116.537 -173.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -61.34 -21.09 63.7 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 118.647 0.658 . . . . 25.0 111.468 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.06 -27.23 66.79 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 112.536 0.569 . . . . 50.0 112.536 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -65.05 -30.44 71.4 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.707 0.765 . . . . 50.0 109.954 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -100.84 3.57 42.08 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 115.46 -0.791 . . . . 50.0 112.216 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.91 103.13 15.06 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 105.184 -2.154 . . . . 50.0 105.184 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -99.51 87.42 3.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.441 -0.799 . . . . 50.0 111.189 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.246 0.883 0 CA-C-O 116.93 -1.51 . . . . 25.0 109.599 177.741 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.547 0 CA-C-O 119.522 -0.599 . . . . 25.0 111.756 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -70.62 178.43 3.02 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.54 -44.07 96.51 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.384 0.538 . . . . 75.0 110.911 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 tt -65.0 -40.83 95.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.727 0.775 . . . . 50.0 109.853 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.58 -34.55 74.31 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.566 -0.708 . . . . 50.0 111.947 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 p -71.86 -28.46 63.56 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 118.629 0.65 . . . . 25.0 109.507 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.04 87.18 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.464 -1.31 . . . . 25.0 107.464 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.1 mmm -71.33 -32.97 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.648 0.981 . . . . 50.0 113.648 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -69.89 -26.62 64.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.9 -0.778 . . . . 50.0 108.9 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 m -65.04 -43.5 92.15 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.61 -0.268 . . . . 25.0 110.59 171.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.27 -35.89 74.54 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.122 -0.696 . . . . 50.0 109.122 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.4 mt -65.6 -47.1 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.712 -0.477 . . . . 50.0 109.712 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -58.7 -45.93 88.43 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.47 0.652 . . . . 50.0 111.113 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.49 -44.2 96.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.367 -0.833 . . . . 50.0 111.326 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.96 -42.99 99.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.444 0.64 . . . . 50.0 109.496 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -64.86 -19.43 65.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.499 -0.773 . . . . 50.0 112.624 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -49.85 68.59 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -91.88 -18.24 24.07 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.9 p -66.04 169.72 6.51 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.556 0.947 . . . . 25.0 113.556 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.57 4.16 17.76 Favored Glycine 0 C--O 1.225 -0.408 0 CA-C-O 121.777 0.654 . . . . 25.0 113.568 175.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -69.02 -33.07 73.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.307 0.575 . . . . 50.0 112.099 -174.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -75.29 -26.56 58.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.627 0.727 . . . . 50.0 111.4 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.87 -30.58 6.06 Favored Glycine 0 C--O 1.225 -0.421 0 N-CA-C 106.813 -2.515 . . . . 50.0 106.813 -173.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -86.08 136.82 33.07 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.705 -1.961 . . . . 50.0 105.705 169.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -84.38 -12.3 54.72 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-O 121.457 0.646 . . . . 25.0 111.074 -176.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -93.56 11.38 28.94 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 115.553 -0.749 . . . . 50.0 109.614 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -128.43 145.02 51.22 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.325 -0.398 . . . . 50.0 112.045 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -141.31 136.0 31.13 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 108.671 -0.863 . . . . 50.0 108.671 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.14 145.31 53.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 118.201 0.455 . . . . 50.0 110.353 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -58.09 -44.99 87.9 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.524 0.935 . . . . 50.0 113.524 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -23.01 65.97 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.404 -0.81 . . . . 50.0 110.255 -178.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -86.26 -24.64 25.9 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 121.821 0.82 . . . . 50.0 109.225 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.0 tp -66.24 -37.91 86.63 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.494 -0.754 . . . . 50.0 109.688 170.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -56.91 -34.28 67.78 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 122.074 -0.391 . . . . 50.0 110.902 177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -63.43 -49.0 75.45 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.588 -0.523 . . . . 50.0 109.588 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.89 -45.22 90.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.449 0.642 . . . . 50.0 109.563 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.71 -31.33 72.47 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.848 -0.615 . . . . 50.0 111.712 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -81.75 -22.39 37.28 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 122.935 0.494 . . . . 50.0 110.693 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.7 m -91.79 -50.59 5.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.782 -0.645 . . . . 25.0 112.315 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -91.18 -45.05 8.87 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.086 0.47 . . . . 50.0 112.159 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 tp -85.01 9.75 13.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.649 0.738 . . . . 50.0 109.564 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -39.52 18.66 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 115.46 1.652 . . . . 50.0 115.46 174.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.99 -35.57 64.72 Favored Glycine 0 N--CA 1.458 0.135 0 C-N-CA 120.267 -0.968 . . . . 50.0 111.061 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -69.53 -32.89 72.0 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.531 -0.914 . . . . 50.0 108.531 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -69.88 -40.67 75.54 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 120.551 0.215 . . . . 50.0 111.196 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.54 -35.97 82.43 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.741 0.781 . . . . 50.0 110.74 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.1 29.95 4.02 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.689 -0.687 . . . . 25.0 110.218 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -62.59 152.49 34.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.524 -0.917 . . . . 50.0 108.524 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HZ1' ' C ' ' A' ' 93' ' ' SER . 32.3 mmmt -129.53 -53.33 1.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.803 0.335 . . . . 50.0 110.645 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.95 84.51 6.92 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.699 -1.223 . . . . 50.0 107.699 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.3 m -64.09 -28.71 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.685 -0.689 . . . . 50.0 112.415 -173.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.76 -38.7 83.8 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.281 -0.637 . . . . 50.0 109.281 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.98 -39.03 43.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.981 -0.554 . . . . 25.0 112.234 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.94 -39.62 86.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.689 -0.856 . . . . 50.0 108.689 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -80.37 -29.83 37.89 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.316 -176.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.25 -36.16 70.6 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 121.056 -0.258 . . . . 25.0 110.359 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -77.52 -42.7 30.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.434 0.635 . . . . 50.0 109.499 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.1 mmt -68.1 -51.36 47.25 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 112.721 0.637 . . . . 50.0 112.721 -175.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -35.62 80.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.745 -0.382 . . . . 50.0 110.207 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.74 -42.69 99.79 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.656 -0.418 . . . . 50.0 110.676 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.67 -23.64 45.56 Favored 'General case' 0 C--O 1.204 -1.341 0 C-N-CA 118.913 -1.115 . . . . 50.0 110.357 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.34 -26.13 67.6 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 122.005 -0.434 . . . . 25.0 112.142 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -102.16 -23.23 14.07 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.549 0.69 . . . . 50.0 110.673 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -96.52 14.15 25.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.806 0.812 . . . . 50.0 109.224 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.71 -19.84 67.63 Favored Glycine 0 C--O 1.218 -0.878 0 N-CA-C 116.705 1.442 . . . . 25.0 116.705 -167.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -89.94 1.76 55.87 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.388 0.614 . . . . 25.0 110.552 -172.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.67 -152.83 24.22 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 104.831 -3.308 . . . . 50.0 104.831 173.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.05 170.98 19.11 Favored 'General case' 0 C--N 1.311 -1.07 0 O-C-N 121.945 -0.738 . . . . 50.0 110.647 -172.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -139.61 168.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.198 -0.91 . . . . 50.0 109.456 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -122.77 -174.36 2.91 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.936 -1.876 . . . . 50.0 105.936 174.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -54.75 -48.89 72.02 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.664 0.987 . . . . 50.0 113.664 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -55.18 -44.03 74.88 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.352 0.524 . . . . 50.0 110.575 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -47.66 67.4 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 122.245 1.021 . . . . 50.0 108.757 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -39.33 79.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.641 -1.163 . . . . 50.0 111.125 -175.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.84 -36.39 58.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 121.077 -0.249 . . . . 50.0 110.966 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.0 t -61.73 -43.17 96.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.551 -0.536 . . . . 50.0 109.551 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.1 mt -68.66 -37.31 79.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.167 0.508 . . . . 50.0 110.632 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 t -62.82 -44.71 99.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 116.133 -0.485 . . . . 50.0 109.749 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.23 82.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.027 -0.42 . . . . 25.0 111.239 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.24 97.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.341 0.591 . . . . 25.0 110.324 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -35.51 75.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.43 0.633 . . . . 50.0 110.019 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.7 m -64.08 -41.08 97.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.196 -0.456 . . . . 25.0 111.881 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.6 m -71.51 -24.22 23.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 121.09 -1.006 . . . . 50.0 112.097 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.56 -5.03 9.9 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.088 0.947 . . . . 25.0 111.464 171.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -73.23 -31.22 64.02 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 115.817 1.784 . . . . 25.0 115.817 -172.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -64.19 -30.98 72.01 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 122.319 1.057 . . . . 25.0 111.224 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -11.68 4.11 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.347 1.61 . . . . 50.0 115.347 174.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -51.79 -25.06 6.86 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.37 0.878 . . . . 75.0 113.37 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -93.64 14.89 17.62 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.649 1.351 . . . . 50.0 114.649 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.9 134.18 24.48 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 122.218 1.009 . . . . 50.0 109.386 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.425 HD21 ' H ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -93.94 78.2 4.14 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.599 -1.182 . . . . 50.0 112.547 -178.366 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.401 ' C ' ' HZ1' ' A' ' 49' ' ' LYS . 72.3 m . . . . . 0 C--O 1.245 0.842 0 CA-C-O 116.599 -1.667 . . . . 25.0 106.723 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.639 0 CA-C-O 119.334 -0.703 . . . . 25.0 111.811 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.32 175.01 1.84 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 172.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.1 -43.68 95.37 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.551 0.614 . . . . 75.0 111.281 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.16 -40.4 94.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.943 0.878 . . . . 50.0 109.327 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -68.05 -36.22 79.53 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 121.682 -0.636 . . . . 50.0 111.508 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.0 p -72.17 -28.76 63.43 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.432 -0.507 . . . . 25.0 109.701 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.6 -47.88 81.86 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.463 -1.31 . . . . 25.0 107.463 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.58 -32.95 70.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.907 1.077 . . . . 50.0 113.907 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.79 -27.66 66.07 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.043 -0.725 . . . . 50.0 109.043 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -64.91 -43.26 93.41 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.234 -0.292 . . . . 25.0 110.598 171.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.44 -37.03 82.07 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.927 -0.768 . . . . 50.0 108.927 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.03 -47.46 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.242 -0.651 . . . . 50.0 109.242 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.34 -51.74 68.17 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.283 0.563 . . . . 75.0 111.188 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.7 p -67.94 -37.24 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 115.664 -0.698 . . . . 50.0 112.027 -175.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.34 -47.19 85.33 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.099 -1.001 . . . . 50.0 110.219 173.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -60.4 -28.02 67.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.512 -0.767 . . . . 50.0 112.32 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.66 95.9 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.735 0.642 . . . . 25.0 112.735 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -93.25 -20.86 20.01 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.767 0.317 . . . . 25.0 111.292 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -65.34 158.3 26.84 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.073 0.768 . . . . 25.0 113.073 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.85 -1.68 21.4 Favored Glycine 0 C--O 1.223 -0.579 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.16 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -66.13 -27.65 68.2 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 120.96 0.409 . . . . 50.0 111.447 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.54 -29.41 52.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.718 0.77 . . . . 50.0 111.678 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.83 -30.91 6.12 Favored Glycine 0 C--O 1.227 -0.323 0 N-CA-C 108.417 -1.873 . . . . 50.0 108.417 -175.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -82.09 133.57 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 104.207 -2.516 . . . . 50.0 104.207 168.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -75.81 -23.82 55.84 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -169.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -103.78 21.45 16.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.355 0.598 . . . . 50.0 109.656 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -122.87 145.57 48.34 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.314 0.578 . . . . 50.0 110.25 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -140.85 135.64 31.57 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 108.075 -1.083 . . . . 50.0 108.075 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.96 150.21 49.01 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.174 -0.61 . . . . 50.0 109.595 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -60.81 -43.52 98.07 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.542 0.941 . . . . 50.0 113.542 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -29.13 69.95 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.512 -0.743 . . . . 50.0 110.599 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -77.08 -24.68 51.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.405 -0.816 . . . . 50.0 108.878 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 tp -71.63 -36.85 70.88 Favored 'General case' 0 CA--C 1.513 -0.461 0 O-C-N 121.879 -0.513 . . . . 50.0 110.285 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -56.2 -33.68 65.55 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 120.767 -0.373 . . . . 50.0 110.902 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.66 -50.21 72.09 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.864 -0.421 . . . . 50.0 109.864 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.31 -45.02 92.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.784 0.802 . . . . 50.0 109.227 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.41 -32.04 73.37 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.339 -0.846 . . . . 50.0 111.592 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -81.68 -22.76 37.25 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 121.893 -0.504 . . . . 50.0 110.832 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.3 m -89.34 -50.44 6.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.765 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -95.43 -42.02 8.69 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 112.962 0.727 . . . . 50.0 112.962 -176.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 tp -85.65 9.17 16.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.715 0.769 . . . . 50.0 109.512 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.03 -36.35 17.78 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 115.144 1.535 . . . . 50.0 115.144 173.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.87 -39.33 75.71 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 110.875 -0.89 . . . . 50.0 110.875 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -70.45 -25.46 63.2 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.996 -0.708 . . . . 50.0 109.201 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -74.2 -39.87 62.86 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 122.149 -0.344 . . . . 50.0 110.35 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.02 -35.55 76.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.639 0.733 . . . . 50.0 110.945 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.82 28.32 3.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.806 -0.633 . . . . 25.0 110.305 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -62.94 152.24 37.14 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.372 0.606 . . . . 50.0 110.37 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -131.77 -48.58 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 50.0 109.604 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -83.53 85.91 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.448 -1.315 . . . . 50.0 107.448 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.69 -24.65 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.828 -0.623 . . . . 50.0 111.784 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.65 -52.47 21.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.439 0.638 . . . . 50.0 109.52 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.06 -37.69 78.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.821 -0.627 . . . . 25.0 111.98 -172.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.29 -41.89 89.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.363 -0.606 . . . . 50.0 109.363 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.46 -31.91 37.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 121.289 0.566 . . . . 50.0 110.304 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -59.6 -43.16 93.79 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 116.178 -0.465 . . . . 25.0 110.809 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.47 -39.13 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.317 -0.994 . . . . 50.0 108.317 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.12 -49.52 60.56 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 115.647 -0.706 . . . . 50.0 112.221 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -36.75 84.41 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 121.132 -0.227 . . . . 50.0 110.638 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.95 -41.8 98.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.808 -0.441 . . . . 50.0 109.808 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.9 -23.33 39.05 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 118.792 -1.163 . . . . 50.0 111.539 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.9 -28.36 66.11 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.386 0.513 . . . . 25.0 112.386 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -104.2 -20.82 13.67 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.543 0.687 . . . . 50.0 111.169 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -96.43 13.88 26.36 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.682 -0.858 . . . . 50.0 108.682 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.86 -20.87 68.95 Favored Glycine 0 C--O 1.218 -0.897 0 N-CA-C 115.773 1.069 . . . . 25.0 115.773 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.17 2.72 51.52 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.432 0.634 . . . . 25.0 110.164 -172.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.01 -153.25 27.11 Favored Glycine 0 N--CA 1.424 -2.135 0 N-CA-C 105.067 -3.213 . . . . 50.0 105.067 172.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.73 169.59 22.96 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 121.72 -0.871 . . . . 50.0 110.815 -171.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.85 166.38 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 CA-C-N 115.224 -0.898 . . . . 50.0 109.953 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -119.97 -174.31 2.74 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 105.591 -2.004 . . . . 50.0 105.591 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -55.3 -46.9 76.24 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.415 0.894 . . . . 50.0 113.415 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -55.73 -44.79 77.88 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.286 0.494 . . . . 50.0 110.899 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -43.71 72.59 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 122.409 1.1 . . . . 50.0 109.113 -174.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -39.0 83.99 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 114.744 -1.117 . . . . 50.0 110.004 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.4 t -72.04 -36.12 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 121.173 -0.211 . . . . 50.0 110.862 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 73.2 t -58.06 -45.59 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.243 -0.651 . . . . 50.0 109.243 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.7 mt -69.33 -38.39 78.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.215 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.6 -44.75 99.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.828 -0.434 . . . . 50.0 109.828 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.44 82.95 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.992 -0.443 . . . . 25.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.24 97.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.39 0.614 . . . . 25.0 110.391 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.44 -34.31 74.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.387 0.613 . . . . 50.0 109.642 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.4 m -64.05 -43.07 96.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.33 -0.395 . . . . 25.0 111.342 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.415 ' C ' ' H ' ' B' ' 85' ' ' SNC . 27.6 m -72.27 -23.92 21.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 O-C-N 121.134 -0.979 . . . . 50.0 112.226 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.68 0.52 3.14 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 122.231 1.015 . . . . 25.0 111.15 171.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . 0.415 ' H ' ' C ' ' B' ' 83' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -16.05 58.26 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.126 -1.609 . . . . 25.0 114.87 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -62.47 -21.05 65.17 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.872 0.844 . . . . 25.0 110.491 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -52.01 -15.55 0.57 Allowed 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 115.118 1.525 . . . . 50.0 115.118 172.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -51.2 -21.07 1.83 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.746 1.017 . . . . 50.0 113.746 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -92.47 9.62 33.59 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.767 1.395 . . . . 50.0 114.767 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.48 129.22 19.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.858 0.837 . . . . 50.0 109.747 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -93.87 78.11 4.18 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.492 -0.776 . . . . 50.0 112.968 -177.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 60.1 m . . . . . 0 C--O 1.256 1.44 0 CA-C-O 118.986 -0.53 . . . . 25.0 110.987 176.904 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.134 0 N-CA-C 111.948 -0.461 . . . . 25.0 111.948 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.66 170.55 16.39 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.197 -1.409 . . . . 25.0 107.197 176.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.34 -30.36 71.11 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.446 -0.501 . . . . 75.0 111.02 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tt -64.54 -41.11 96.56 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 122.46 1.124 . . . . 50.0 109.745 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -71.07 -36.42 72.26 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.749 -0.659 . . . . 50.0 110.551 -174.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.6 p -74.07 -26.53 60.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 173.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.47 92.78 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 107.856 -1.164 . . . . 25.0 107.856 175.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.5 mmm -70.76 -32.76 70.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.651 0.611 . . . . 50.0 112.651 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.7 -29.6 68.9 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.284 -0.635 . . . . 50.0 109.284 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.4 m -64.46 -43.14 95.17 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 174.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.54 -37.81 82.42 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.056 -0.72 . . . . 50.0 109.056 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.83 -48.63 85.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.517 0 N-CA-C 109.779 -0.452 . . . . 50.0 109.779 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -57.51 -46.95 83.18 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.598 0.714 . . . . 50.0 110.827 -177.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.87 -46.07 97.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.67 -0.696 . . . . 50.0 111.378 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.42 -45.96 92.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.152 0.501 . . . . 50.0 109.731 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -62.7 -27.63 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 124.006 0.922 . . . . 50.0 112.882 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.39 82.55 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -87.53 -21.44 25.44 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.37 0.605 . . . . 25.0 110.115 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.8 t -60.03 147.57 38.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.943 -0.571 . . . . 25.0 110.103 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.93 -22.1 6.11 Favored Glycine 0 C--O 1.223 -0.547 0 C-N-CA 120.925 -0.655 . . . . 25.0 113.448 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -63.16 -32.16 73.49 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.345 0.572 . . . . 50.0 110.048 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -69.57 -29.77 67.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.344 -0.844 . . . . 50.0 111.78 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.88 -30.66 6.48 Favored Glycine 0 C--N 1.32 -0.357 0 N-CA-C 109.55 -1.42 . . . . 50.0 109.55 -174.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -87.71 154.04 20.89 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.038 -1.467 . . . . 50.0 107.038 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -19.17 21.8 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.012 0.375 . . . . 25.0 112.012 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -107.27 8.75 30.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.244 -0.434 . . . . 50.0 111.993 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.91 149.04 52.28 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.967 -0.382 . . . . 50.0 109.967 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 tp -140.16 138.72 35.41 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 108.48 -0.933 . . . . 50.0 108.48 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.53 151.38 46.55 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.849 -0.341 . . . . 50.0 111.472 179.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -62.22 -43.96 97.66 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 113.253 0.835 . . . . 50.0 113.253 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -29.08 70.14 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.211 0.914 . . . . 50.0 110.8 -178.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -75.32 -30.4 60.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.217 -0.902 . . . . 50.0 109.099 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.8 tp -65.27 -29.62 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.285 -0.416 . . . . 50.0 111.409 176.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -62.24 -34.76 77.13 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.162 -0.615 . . . . 50.0 109.983 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.34 -46.72 82.23 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.315 -0.624 . . . . 50.0 109.315 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.49 -46.94 87.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.398 0.618 . . . . 50.0 109.791 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.96 -29.51 70.67 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.665 0.745 . . . . 50.0 111.948 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -81.69 -22.38 37.47 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.539 0.736 . . . . 50.0 111.893 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.8 m -101.4 -58.77 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.467 0.914 . . . . 25.0 113.467 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -82.71 -33.06 27.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.685 -0.634 . . . . 50.0 111.398 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.1 tp -97.51 9.91 41.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.473 0.654 . . . . 50.0 109.779 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.4 -36.36 21.82 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.381 1.993 . . . . 50.0 116.381 176.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.35 -38.79 62.46 Favored Glycine 0 N--CA 1.459 0.195 0 C-N-CA 120.238 -0.982 . . . . 50.0 110.807 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -69.49 -31.0 69.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.127 -0.694 . . . . 50.0 109.127 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.3 tp -69.75 -44.45 70.19 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 123.779 0.674 . . . . 50.0 110.479 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.3 -32.71 74.5 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.569 -0.742 . . . . 50.0 111.346 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.44 30.39 3.23 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 116.151 -0.477 . . . . 25.0 109.833 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.3 156.57 33.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.284 -0.635 . . . . 50.0 109.284 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -136.87 -47.25 0.6 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.15 0.5 . . . . 50.0 110.636 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -85.91 80.14 8.99 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.025 -1.102 . . . . 50.0 108.025 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.19 -23.55 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.682 -1.145 . . . . 50.0 113.863 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.77 -37.34 73.35 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.707 -0.621 . . . . 50.0 109.663 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.79 -37.64 55.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.905 -0.589 . . . . 25.0 112.235 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -66.38 -37.2 79.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.784 0.802 . . . . 50.0 109.143 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.4 -23.59 40.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 50.0 110.964 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -23.19 64.07 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.854 -0.612 . . . . 25.0 111.207 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.4 t -93.16 -48.86 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.476 -0.49 . . . . 50.0 110.877 173.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.1 mmt -65.73 -53.17 44.36 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 113.694 0.998 . . . . 50.0 113.694 -171.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -33.56 74.5 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.406 -0.59 . . . . 50.0 109.406 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.08 -46.02 90.96 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.463 -0.495 . . . . 50.0 110.103 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.12 -20.02 49.69 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 119.178 -1.009 . . . . 50.0 111.067 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -57.39 -29.93 64.48 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 111.914 0.338 . . . . 25.0 111.914 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -107.66 -20.85 13.09 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.256 0.551 . . . . 50.0 111.69 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -96.5 16.85 17.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.978 0.894 . . . . 50.0 109.802 177.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.16 -18.89 67.6 Favored Glycine 0 C--O 1.218 -0.863 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 -171.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -89.06 8.19 31.08 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.974 0.892 . . . . 25.0 110.167 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.32 -158.12 34.18 Favored Glycine 0 N--CA 1.415 -2.737 0 N-CA-C 104.368 -3.493 . . . . 50.0 104.368 171.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -151.59 169.51 21.94 Favored 'General case' 0 C--N 1.309 -1.158 0 O-C-N 122.11 -0.641 . . . . 50.0 109.954 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.03 167.82 16.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 123.922 0.764 . . . . 50.0 110.338 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -123.8 -174.14 2.91 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.205 -1.776 . . . . 50.0 106.205 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.28 -48.17 71.54 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 113.722 1.008 . . . . 50.0 113.722 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -56.49 -44.65 80.89 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.684 0.674 . . . . 50.0 110.55 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -48.31 69.56 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 122.329 1.061 . . . . 50.0 108.827 -175.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -40.33 86.13 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.634 -1.166 . . . . 50.0 110.773 -176.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 83.0 t -71.39 -37.33 64.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 122.166 -0.334 . . . . 50.0 111.116 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.3 -44.95 89.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 109.123 -0.695 . . . . 50.0 109.123 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.0 mt -70.27 -36.78 74.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.85 0.357 . . . . 50.0 111.436 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.8 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.632 -0.507 . . . . 50.0 109.632 176.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.75 -36.03 81.48 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.817 -0.552 . . . . 25.0 110.519 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.64 94.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.222 0.534 . . . . 25.0 110.336 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.04 -34.78 75.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.347 0.594 . . . . 50.0 109.83 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.4 m -64.47 -43.78 93.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.211 -0.45 . . . . 25.0 111.046 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' C ' ' H ' ' A' ' 85' ' ' SNC . 35.0 m -72.41 -19.0 19.2 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 N-CA-C 112.842 0.682 . . . . 50.0 112.842 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.39 0.68 0.64 Allowed 'General case' 0 CA--C 1.551 0.991 0 CA-C-O 121.973 0.892 . . . . 25.0 111.715 169.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . 0.428 ' H ' ' C ' ' A' ' 83' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -58.2 -30.46 66.48 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.918 -1.114 . . . . 25.0 111.918 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.48 -27.36 6.42 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -61.18 -24.25 66.17 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.376 0.88 . . . . 50.0 113.376 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -67.5 -18.84 65.2 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.502 -0.749 . . . . 75.0 111.512 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -120.05 5.09 10.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.271 -0.422 . . . . 50.0 111.699 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -137.48 103.22 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.565 0.698 . . . . 50.0 110.775 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -79.92 112.77 17.53 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.126 -0.694 . . . . 50.0 109.126 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 C--O 1.246 0.869 0 CA-C-N 115.351 -0.84 . . . . 25.0 109.421 176.386 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 CA-C-O 118.791 -1.005 . . . . 25.0 111.662 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.7 176.8 1.05 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.134 0.967 . . . . 25.0 110.106 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -62.72 -40.18 96.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.963 -0.461 . . . . 75.0 110.265 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.57 -41.8 98.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.33 1.062 . . . . 50.0 109.991 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -69.69 -32.95 71.85 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 121.25 -0.906 . . . . 50.0 111.993 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -75.81 -27.44 57.92 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -45.93 92.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.629 -1.249 . . . . 25.0 107.629 172.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.67 -34.97 72.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.121 0.785 . . . . 50.0 113.121 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -68.2 -28.29 67.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 119.881 -0.728 . . . . 50.0 109.407 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.0 m -63.58 -44.19 94.78 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.755 0.312 . . . . 25.0 110.427 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.64 -37.44 81.52 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.487 -0.56 . . . . 50.0 109.487 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.15 -46.51 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 119.389 -0.338 . . . . 50.0 110.253 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -58.76 -46.78 86.7 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.227 0.329 . . . . 75.0 110.667 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.4 t -63.63 -44.35 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 50.0 112.035 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.87 -47.03 86.82 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.504 -0.554 . . . . 50.0 109.504 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -61.82 -29.32 70.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.91 0.707 . . . . 50.0 112.91 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.16 97.64 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -92.36 -22.37 19.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.786 0.327 . . . . 25.0 110.989 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.2 t -63.04 154.93 29.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.014 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.16 -15.64 15.65 Favored Glycine 0 C--O 1.223 -0.537 0 N-CA-C 110.977 -0.849 . . . . 25.0 110.977 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -14.18 61.62 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.739 1.015 . . . . 50.0 113.739 -178.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -30.03 32.48 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.507 0.67 . . . . 50.0 110.395 177.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.65 -30.6 4.17 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.587 -0.733 . . . . 50.0 112.857 -176.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -93.47 153.73 18.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.487 -1.672 . . . . 50.0 106.487 164.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -76.51 -26.79 55.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -172.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -103.67 17.57 23.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.351 0.596 . . . . 50.0 110.12 -176.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -125.01 148.94 48.23 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.385 -0.825 . . . . 50.0 110.5 175.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.7 tp -137.85 136.91 37.59 Favored 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 108.838 -0.801 . . . . 50.0 108.838 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.15 148.88 51.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.499 0.59 . . . . 50.0 109.63 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.18 -43.89 95.51 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 113.121 0.785 . . . . 50.0 113.121 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -26.99 67.16 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.754 0.706 . . . . 50.0 110.679 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -78.8 -23.51 45.12 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.39 -0.823 . . . . 50.0 109.502 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.4 tp -71.31 -28.76 64.33 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.575 -0.703 . . . . 50.0 110.063 173.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -60.67 -31.59 70.83 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 120.454 -0.498 . . . . 50.0 109.995 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.8 -49.69 75.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.456 -0.572 . . . . 50.0 109.456 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.84 -45.74 93.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.219 -0.66 . . . . 50.0 109.219 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.33 -29.34 70.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.552 0.691 . . . . 50.0 111.825 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -81.98 -22.34 36.65 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 123.585 0.754 . . . . 50.0 112.388 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 37.5 m -105.26 -56.52 2.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -172.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -87.99 -24.11 23.63 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.922 -0.486 . . . . 50.0 111.574 -176.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.2 tp -105.11 10.37 33.93 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.63 -0.878 . . . . 50.0 108.63 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -51.13 -34.58 31.52 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.814 1.783 . . . . 50.0 115.814 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.35 -36.96 59.23 Favored Glycine 0 C--O 1.222 -0.597 0 C-N-CA 120.322 -0.942 . . . . 50.0 110.768 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.12 -29.63 65.49 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.889 -0.771 . . . . 50.0 109.398 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 25.1 tp -69.93 -43.23 72.04 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.503 -0.554 . . . . 50.0 109.503 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.88 -32.27 73.42 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.703 -0.68 . . . . 50.0 111.324 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.12 26.91 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -63.19 154.17 32.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.651 -0.5 . . . . 50.0 109.651 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -135.66 -54.66 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.022 0.439 . . . . 50.0 110.006 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -84.12 83.54 7.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.18 -1.415 . . . . 50.0 107.18 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.8 m -63.93 -28.73 45.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.996 -1.002 . . . . 50.0 112.596 -171.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.13 -35.48 80.6 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.008 -0.738 . . . . 50.0 109.008 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.14 -38.19 25.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.974 -0.557 . . . . 25.0 112.216 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -65.85 -39.06 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.104 -0.702 . . . . 50.0 109.104 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -80.54 -28.4 37.32 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.839 -0.619 . . . . 50.0 110.913 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -36.54 71.61 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 110.211 -0.292 . . . . 25.0 110.211 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.03 -43.04 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.397 0.617 . . . . 50.0 109.507 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.4 mmt -68.74 -50.69 48.58 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 112.482 0.549 . . . . 50.0 112.482 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -35.41 80.64 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.822 -0.351 . . . . 50.0 110.435 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -61.93 -43.85 97.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.72 -0.392 . . . . 50.0 110.348 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.92 -24.19 48.37 Favored 'General case' 0 C--O 1.206 -1.193 0 C-N-CA 118.879 -1.128 . . . . 50.0 110.437 -178.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.65 -25.81 67.61 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 111.963 0.357 . . . . 25.0 111.963 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -102.04 -23.23 14.12 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.375 0.607 . . . . 50.0 110.778 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -96.55 13.94 26.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.554 0.692 . . . . 50.0 109.618 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.7 -23.27 65.04 Favored Glycine 0 C--O 1.221 -0.669 0 N-CA-C 116.371 1.309 . . . . 25.0 116.371 -168.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -88.79 4.89 45.99 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.68 0.753 . . . . 25.0 110.229 -173.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.55 -156.14 31.53 Favored Glycine 0 N--CA 1.417 -2.624 0 N-CA-C 104.314 -3.514 . . . . 50.0 104.314 171.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.44 170.83 18.63 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.975 -0.721 . . . . 50.0 110.536 -173.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.25 165.52 17.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.269 -0.878 . . . . 50.0 109.754 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -123.01 -174.2 2.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 105.796 -1.928 . . . . 50.0 105.796 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -53.47 -48.35 68.96 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.899 1.074 . . . . 50.0 113.899 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -55.65 -45.77 77.59 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.315 0.507 . . . . 50.0 110.625 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -46.1 76.34 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-O 122.216 1.007 . . . . 50.0 108.75 -174.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -39.81 86.42 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.808 -1.087 . . . . 50.0 110.722 -177.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -71.04 -36.7 64.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 122.169 -0.332 . . . . 50.0 110.718 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 58.4 t -59.52 -44.53 93.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.334 -0.617 . . . . 50.0 109.334 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -69.71 -37.57 76.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.893 0.378 . . . . 50.0 111.138 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.83 -43.91 99.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.579 -0.526 . . . . 50.0 109.579 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.9 83.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.038 -0.414 . . . . 25.0 110.567 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.36 90.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.315 0.578 . . . . 25.0 110.51 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.06 -32.33 68.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.655 0.741 . . . . 50.0 110.157 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 42.6 m -65.42 -44.97 85.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.067 -0.515 . . . . 25.0 110.489 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.8 m -69.67 -22.44 25.13 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 N-CA-C 113.796 1.036 . . . . 50.0 113.796 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.68 -4.11 2.79 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 121.999 0.904 . . . . 25.0 110.82 170.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -66.51 -15.59 63.5 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.539 -1.351 . . . . 25.0 109.374 174.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -52.1 -30.93 28.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.832 -0.622 . . . . 25.0 112.159 174.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -61.94 -20.72 64.11 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 113.213 0.819 . . . . 50.0 113.213 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -63.67 -25.73 68.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.354 -0.841 . . . . 50.0 109.883 176.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -100.79 -1.97 33.51 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.403 0.89 . . . . 50.0 113.403 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -129.63 103.23 6.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.949 -1.13 . . . . 50.0 107.949 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.68 96.85 9.68 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.884 -1.053 . . . . 50.0 109.897 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.248 0.989 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 178.569 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.865 0 CA-C-O 118.955 -0.914 . . . . 25.0 111.233 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -68.3 168.7 11.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 117.497 0.649 . . . . 25.0 109.822 176.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -62.0 -39.26 91.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.376 -0.601 . . . . 75.0 109.376 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tt -64.71 -41.83 95.71 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 121.576 0.703 . . . . 50.0 110.772 177.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.04 -37.2 85.27 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 121.512 -0.743 . . . . 50.0 111.628 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.2 p -76.1 -26.86 56.83 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.7 98.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 172.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.9 mmm -71.92 -31.16 66.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.795 0.665 . . . . 50.0 112.795 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -69.64 -26.55 64.47 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.88 -0.728 . . . . 50.0 109.567 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 m -62.92 -43.53 98.54 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.162 0.506 . . . . 25.0 109.996 172.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.07 -36.57 84.45 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.324 -0.621 . . . . 50.0 109.324 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.72 -48.3 85.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.853 -0.795 . . . . 50.0 108.853 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -58.93 -50.93 72.18 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.225 0.536 . . . . 50.0 111.698 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.2 p -67.05 -35.96 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-N 115.612 -0.722 . . . . 50.0 112.629 -177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.48 -45.84 92.29 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.94 -1.1 . . . . 50.0 109.479 173.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -74.58 -14.06 60.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.254 1.205 . . . . 50.0 114.254 -175.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.76 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -93.22 -25.24 17.89 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 p -61.66 150.54 36.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.469 0.652 . . . . 25.0 111.489 -174.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.15 1.66 75.44 Favored Glycine 0 C--O 1.224 -0.469 0 C-N-CA 120.56 -0.828 . . . . 25.0 113.031 -175.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -56.55 -35.24 67.89 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.251 0.548 . . . . 50.0 111.352 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -100.02 -13.89 18.87 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.415 1.265 . . . . 50.0 114.415 -175.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.97 -31.2 3.96 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 118.5 2.16 . . . . 50.0 118.5 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -88.13 119.5 28.57 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 104.913 -2.254 . . . . 50.0 104.913 169.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -70.87 -32.21 69.12 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 113.999 1.111 . . . . 25.0 113.999 -168.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -94.99 14.65 21.08 Favored 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 119.841 -0.744 . . . . 50.0 110.469 -175.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -127.34 158.57 36.91 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.787 -0.642 . . . . 50.0 109.915 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.1 tp -138.94 131.85 29.38 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.344 -1.354 . . . . 50.0 107.344 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.99 151.38 46.92 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.428 -0.17 . . . . 50.0 111.068 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -63.83 -41.1 97.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.388 0.884 . . . . 50.0 113.388 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -28.56 70.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.748 1.158 . . . . 50.0 110.504 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -80.4 -27.42 38.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.644 0.735 . . . . 50.0 110.428 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.9 tp -64.38 -34.3 77.85 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.916 -0.49 . . . . 50.0 110.071 175.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -56.04 -37.73 69.62 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.22 -0.445 . . . . 50.0 110.865 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.33 -48.42 75.65 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.568 -0.53 . . . . 50.0 109.568 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.22 -44.98 96.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.68 -0.489 . . . . 50.0 109.68 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.68 -30.5 71.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 50.0 111.731 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.91 -21.69 37.22 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 122.818 0.447 . . . . 50.0 112.102 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.3 m -104.31 -53.87 2.64 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 -173.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -89.95 -22.24 22.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.074 0.398 . . . . 50.0 112.074 -174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.4 tp -109.42 10.35 25.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.733 -0.84 . . . . 50.0 108.733 176.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.94 -40.01 13.41 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 115.239 1.57 . . . . 50.0 115.239 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.29 80.02 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.102 -1.047 . . . . 50.0 113.397 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.2 m-30 -82.55 -29.58 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.711 -0.876 . . . . 50.0 108.929 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.0 tp -69.55 -42.3 74.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.973 0.416 . . . . 50.0 110.135 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.06 -35.23 79.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.606 0.717 . . . . 50.0 110.726 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.43 28.43 3.72 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.984 -0.553 . . . . 25.0 110.807 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.23 155.44 24.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.161 0.505 . . . . 50.0 110.667 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -128.61 -48.48 1.27 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.065 -0.717 . . . . 50.0 109.065 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -81.01 90.11 5.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 50.0 110.59 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.5 m -67.18 -23.54 30.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.673 -0.694 . . . . 50.0 111.743 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.459 ' CG ' ' HZ3' ' A' ' 56' ' ' LYS . 33.2 t70 -78.15 -41.0 36.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.076 0.465 . . . . 50.0 110.289 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.47 -39.92 44.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.43 -37.68 80.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.036 -0.727 . . . . 50.0 109.036 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.62 -27.78 40.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.877 -0.601 . . . . 50.0 110.629 -176.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 1.2 ttmm -60.0 -37.29 79.26 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.858 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.1 t -70.92 -44.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.844 0.83 . . . . 50.0 109.516 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.6 mmt -69.53 -45.96 67.61 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 115.726 -0.67 . . . . 50.0 111.8 -174.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -36.09 82.54 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.589 -0.152 . . . . 50.0 110.589 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -62.09 -46.92 86.93 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.219 -0.66 . . . . 50.0 109.219 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.41 -19.55 49.74 Favored 'General case' 0 C--O 1.208 -1.123 0 C-N-CA 119.672 -0.811 . . . . 50.0 110.55 -174.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.31 -30.62 71.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.408 0.623 . . . . 25.0 110.274 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -98.29 -28.19 13.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.705 0.764 . . . . 50.0 110.307 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -98.37 17.17 19.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.365 -0.834 . . . . 50.0 111.584 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.73 -19.33 62.8 Favored Glycine 0 CA--C 1.502 -0.72 0 CA-C-O 121.389 0.438 . . . . 25.0 114.019 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -84.36 -4.49 58.92 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.741 0.782 . . . . 25.0 109.639 -173.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.59 -162.0 37.88 Favored Glycine 0 N--CA 1.423 -2.214 0 N-CA-C 106.506 -2.637 . . . . 50.0 106.506 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -150.23 165.58 32.52 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.152 -1.024 . . . . 50.0 109.443 -175.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.22 167.68 22.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.087 -0.96 . . . . 50.0 108.906 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -119.52 -174.15 2.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 104.921 -2.251 . . . . 50.0 104.921 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -52.89 -46.43 67.97 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 113.045 0.757 . . . . 50.0 113.045 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -55.22 -49.7 71.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.492 0.587 . . . . 50.0 111.033 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -73.18 -38.22 66.24 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 121.614 0.721 . . . . 50.0 109.627 -172.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -41.37 88.42 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.575 -0.739 . . . . 50.0 109.809 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.3 t -71.49 -36.78 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 122.176 -0.328 . . . . 50.0 111.134 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.67 -44.34 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.339 -0.615 . . . . 50.0 109.339 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -71.5 -35.54 70.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.423 -0.353 . . . . 50.0 111.309 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.04 -43.64 97.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.417 -0.586 . . . . 50.0 109.417 175.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.3 83.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.955 -0.466 . . . . 25.0 110.915 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.54 99.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.313 0.578 . . . . 25.0 109.905 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -34.89 75.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.52 0.676 . . . . 50.0 109.976 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.8 m -63.32 -41.67 98.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.819 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.1 m -76.35 -23.98 15.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 O-C-N 121.042 -1.036 . . . . 50.0 111.956 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.16 -29.56 70.4 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 122.433 1.111 . . . . 25.0 108.697 172.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -69.48 -14.25 62.77 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.57 -1.331 . . . . 25.0 113.174 -177.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -51.49 -16.21 0.55 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 114.942 1.46 . . . . 25.0 114.942 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -52.54 -15.95 0.8 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.996 0.739 . . . . 50.0 112.996 173.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -57.7 -28.85 64.19 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.919 0.488 . . . . 75.0 111.664 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -102.61 20.23 17.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.018 0.437 . . . . 50.0 111.559 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.408 ' HG2' ' H ' ' A' ' 92' ' ' ASN . 18.7 tt0 -142.28 -177.46 5.26 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 104.136 -2.542 . . . . 50.0 104.136 -178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.408 ' H ' ' HG2' ' A' ' 91' ' ' GLU . 53.1 t30 -94.76 78.03 3.69 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.769 -1.197 . . . . 50.0 107.769 175.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 C--O 1.252 1.212 0 O-C-N 124.148 0.905 . . . . 25.0 110.096 -175.59 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.12 0 CA-C-O 119.035 -0.87 . . . . 25.0 111.233 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -70.26 175.41 4.65 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.72 -0.845 . . . . 25.0 108.72 173.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -61.58 -34.58 75.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.355 0.598 . . . . 75.0 109.735 176.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tt -68.14 -41.76 81.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.196 0.522 . . . . 50.0 110.738 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.41 -40.18 95.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.464 -0.773 . . . . 50.0 110.683 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.9 p -71.51 -27.92 63.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.654 -0.418 . . . . 25.0 110.622 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.68 97.24 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.3 mmm -71.15 -31.98 68.37 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.572 0.582 . . . . 50.0 112.572 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -67.71 -28.44 67.66 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.603 -0.686 . . . . 50.0 109.521 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.0 m -63.77 -43.19 97.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.092 0.472 . . . . 25.0 110.398 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.09 -37.78 88.69 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.06 -0.719 . . . . 50.0 109.06 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.26 -47.48 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.052 -0.722 . . . . 50.0 109.052 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -57.41 -50.8 71.84 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 112.123 0.416 . . . . 75.0 112.123 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -70.92 -35.16 58.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 N-CA-C 112.661 0.615 . . . . 50.0 112.661 -175.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.78 -45.83 91.07 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.264 -0.897 . . . . 50.0 109.448 173.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -73.43 -14.1 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.12 1.156 . . . . 50.0 114.12 -175.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.51 94.86 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 175.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -94.08 -19.88 20.43 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.9 p -62.03 163.79 7.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.56 -8.87 71.62 Favored Glycine 0 C--O 1.221 -0.671 0 C-N-CA 120.923 -0.656 . . . . 25.0 112.787 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -64.82 -31.34 72.52 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 117.102 0.451 . . . . 50.0 110.905 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -74.94 -26.24 59.46 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.618 0.723 . . . . 50.0 111.157 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.75 -30.97 4.06 Favored Glycine 0 C--O 1.229 -0.183 0 CA-C-N 115.693 -0.685 . . . . 50.0 112.006 -177.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -99.69 129.88 45.86 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.015 -1.476 . . . . 50.0 107.015 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -75.16 -17.33 60.42 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 114.121 1.156 . . . . 25.0 114.121 -173.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -90.42 4.42 51.0 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.137 -0.69 . . . . 50.0 109.137 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -129.22 156.7 43.53 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.243 0.544 . . . . 50.0 111.975 -176.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.6 tp -141.13 135.63 31.09 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 108.141 -1.059 . . . . 50.0 108.141 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.426 ' HB3' ' HZ3' ' B' ' 31' ' ' LYS . 1.0 OUTLIER -63.86 147.93 50.65 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.445 0.535 . . . . 50.0 112.445 -179.585 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -63.65 -48.58 76.66 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.472 -0.767 . . . . 50.0 112.508 -177.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.426 ' HZ3' ' HB3' ' B' ' 29' ' ' SER . 0.0 OUTLIER -56.88 -33.58 67.01 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.429 0.529 . . . . 50.0 112.429 176.488 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.05 -30.69 62.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.625 0.726 . . . . 50.0 110.875 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.2 -28.8 70.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.041 -0.527 . . . . 50.0 111.635 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -61.89 -37.12 83.38 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 120.702 -0.399 . . . . 50.0 110.381 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.25 -44.11 84.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.901 -0.777 . . . . 50.0 108.901 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.27 -45.85 92.79 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.023 -0.535 . . . . 50.0 109.836 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.73 -29.46 70.68 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 121.4 0.619 . . . . 50.0 111.893 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -81.93 -20.55 38.44 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.014 0.526 . . . . 50.0 111.2 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -99.24 -55.27 2.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.739 -0.664 . . . . 25.0 111.95 -177.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -88.83 -18.65 27.21 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 113.035 0.754 . . . . 50.0 113.035 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 tp -117.12 13.09 14.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.501 0.667 . . . . 50.0 109.791 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.54 -37.27 11.84 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 115.209 1.559 . . . . 50.0 115.209 175.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.95 -28.95 71.16 Favored Glycine 0 C--O 1.226 -0.391 0 C-N-CA 120.833 -0.699 . . . . 50.0 112.49 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -78.78 -26.83 44.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.687 -0.89 . . . . 50.0 108.741 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.43 -40.14 70.59 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.444 -0.576 . . . . 50.0 109.444 175.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.49 -33.15 74.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.455 0.645 . . . . 50.0 111.512 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.21 25.85 8.38 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.979 -0.555 . . . . 25.0 111.124 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -63.32 151.6 40.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.077 0.465 . . . . 50.0 109.963 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -127.44 -49.2 1.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.712 -0.848 . . . . 50.0 108.712 177.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -88.25 91.58 8.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.754 -0.657 . . . . 50.0 109.824 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.92 -30.28 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.647 -0.706 . . . . 50.0 111.504 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.56 -38.63 84.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.494 0.664 . . . . 50.0 110.103 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.61 -39.61 36.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.97 -0.559 . . . . 25.0 111.737 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.07 -39.21 79.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.803 -0.443 . . . . 50.0 109.803 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -79.45 -26.79 41.68 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 116.38 -0.373 . . . . 50.0 110.564 -176.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -55.83 -43.26 76.83 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.55 -43.5 90.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.56 0.695 . . . . 50.0 109.666 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.9 mmt -69.05 -49.21 59.5 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.79 -0.641 . . . . 50.0 112.211 -175.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -37.2 86.01 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 121.005 -0.278 . . . . 50.0 110.576 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.99 -46.1 90.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.383 -0.599 . . . . 50.0 109.383 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.92 -21.59 50.91 Favored 'General case' 0 C--O 1.209 -1.068 0 C-N-CA 119.133 -1.027 . . . . 50.0 110.492 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.28 -27.87 69.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.305 0.574 . . . . 25.0 110.365 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -101.28 -22.73 14.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.535 0.684 . . . . 50.0 110.528 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' B' ' 66' ' ' ASP . 14.4 m-80 -95.81 16.53 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.902 -0.59 . . . . 50.0 109.56 177.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.4 20.34 2.72 Favored Glycine 0 C--O 1.218 -0.855 0 CA-C-O 121.636 0.576 . . . . 25.0 113.623 -176.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' B' ' 64' ' ' ASN . 24.8 t0 -100.94 -30.11 11.83 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 174.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.38 -152.31 27.13 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 122.812 1.229 . . . . 50.0 114.649 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -148.78 171.11 16.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 113.598 -1.301 . . . . 50.0 110.376 -170.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 m -141.09 170.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.088 -0.96 . . . . 50.0 108.749 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -117.85 -174.12 2.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 105.734 -1.95 . . . . 50.0 105.734 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.52 -46.9 70.27 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 113.063 0.764 . . . . 50.0 113.063 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -54.69 -48.93 71.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 118.143 0.429 . . . . 50.0 111.0 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.38 -36.34 66.05 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.568 0.699 . . . . 50.0 109.785 -172.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -40.02 89.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.796 -0.638 . . . . 50.0 109.342 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 86.4 t -72.63 -35.89 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.257 -0.277 . . . . 50.0 110.985 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.71 -44.97 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 109.203 -0.666 . . . . 50.0 109.203 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.4 mt -70.9 -37.03 72.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.353 -0.385 . . . . 50.0 111.411 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.23 -44.42 99.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.266 -0.642 . . . . 50.0 109.266 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.38 -37.61 87.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.098 -0.376 . . . . 25.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.29 97.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.28 0.562 . . . . 25.0 110.448 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.14 -36.56 77.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.453 0.644 . . . . 50.0 109.581 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -61.71 -43.4 98.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.152 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.42 ' HA ' ' HB2' ' B' ' 86' ' ' ASN . 23.3 m -71.65 -23.96 22.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 119.317 0.962 . . . . 50.0 113.195 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.47 -20.42 66.35 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.575 0.703 . . . . 25.0 110.005 174.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.42 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 72.9 m-20 -69.39 -15.46 63.31 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.067 -1.646 . . . . 25.0 114.231 -176.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -58.11 -20.88 43.49 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.623 0.647 . . . . 25.0 110.424 177.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -56.09 -15.85 4.23 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 113.941 1.089 . . . . 50.0 113.941 171.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -63.77 -19.06 64.68 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 120.794 -1.191 . . . . 50.0 112.119 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -93.75 2.15 56.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.774 0.321 . . . . 50.0 111.092 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -120.39 103.31 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.693 0.759 . . . . 50.0 109.032 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.46 77.85 8.0 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.591 -0.522 . . . . 50.0 109.591 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.55 -0.738 . . . . 25.0 109.615 177.633 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.287 0 CA-C-O 119.509 -0.606 . . . . 25.0 111.767 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -76.27 175.44 9.06 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.86 -29.39 69.83 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 120.552 -0.459 . . . . 75.0 109.965 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.52 -42.93 86.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.46 0.648 . . . . 50.0 109.662 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.73 -42.16 97.95 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.596 -0.69 . . . . 50.0 110.005 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 p -71.5 -27.25 63.09 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.568 -0.453 . . . . 25.0 110.632 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.39 87.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -71.66 -30.57 65.88 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.49 0.552 . . . . 50.0 112.49 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -70.26 -27.45 64.45 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.18 -0.674 . . . . 50.0 109.18 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 m -65.85 -42.98 89.8 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.86 -35.07 75.65 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.789 -0.819 . . . . 50.0 108.789 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -67.13 -45.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.664 -0.495 . . . . 50.0 109.664 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.62 -50.53 73.49 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.332 0.587 . . . . 50.0 110.342 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.49 -42.78 97.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.322 -0.854 . . . . 50.0 111.151 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.42 -48.38 81.45 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.758 -0.589 . . . . 50.0 110.859 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -64.85 -23.3 67.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.753 0.279 . . . . 50.0 111.753 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.04 79.07 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.879 0.326 . . . . 25.0 111.879 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -102.43 -17.25 15.9 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.901 0.382 . . . . 25.0 111.08 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.3 m -70.89 155.32 40.95 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 121.886 0.85 . . . . 25.0 111.789 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.1 -7.91 62.66 Favored Glycine 0 C--O 1.223 -0.555 0 N-CA-C 109.53 -1.428 . . . . 25.0 109.53 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -27.75 68.27 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 108.331 -0.989 . . . . 50.0 108.331 173.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -75.42 -28.59 59.46 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.258 -0.883 . . . . 50.0 111.268 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.25 -30.49 5.4 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 115.567 -0.742 . . . . 50.0 111.26 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -99.62 132.68 44.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 106.422 -1.695 . . . . 50.0 106.422 173.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -70.02 -19.51 63.31 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.216 1.191 . . . . 25.0 114.216 -172.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -94.62 4.86 53.31 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.347 -0.22 . . . . 50.0 110.624 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -126.23 148.23 49.51 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.762 0.791 . . . . 50.0 111.387 -176.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.66 133.14 31.98 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 106.314 -1.736 . . . . 50.0 106.314 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -64.09 147.63 51.74 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 121.071 -0.252 . . . . 50.0 110.787 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -60.32 -51.45 69.45 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.398 -0.814 . . . . 50.0 112.981 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -30.76 68.17 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.166 0.432 . . . . 50.0 112.166 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -78.19 -23.75 47.46 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.486 -0.325 . . . . 50.0 110.827 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.3 tp -69.81 -26.43 64.24 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 121.482 -0.761 . . . . 50.0 110.212 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -61.69 -32.36 72.55 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 120.282 -0.567 . . . . 50.0 109.63 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.97 -47.58 85.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.349 -0.611 . . . . 50.0 109.349 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.64 -44.02 97.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.195 0.522 . . . . 50.0 109.835 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.75 -28.68 69.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.668 0.747 . . . . 50.0 111.721 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -81.89 -22.42 36.88 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 123.5 0.72 . . . . 50.0 111.484 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.1 m -101.78 -59.69 1.66 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.466 0.913 . . . . 25.0 113.466 -173.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.3 -43.15 19.54 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 122.021 0.915 . . . . 50.0 110.372 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tp -89.29 11.41 19.03 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.915 -1.039 . . . . 50.0 109.715 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -52.5 -37.33 57.16 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 115.381 1.623 . . . . 50.0 115.381 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.58 -37.79 52.23 Favored Glycine 0 C--O 1.226 -0.39 0 N-CA-C 110.057 -1.217 . . . . 50.0 110.057 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -66.88 -26.21 66.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.247 -0.476 . . . . 50.0 110.437 176.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.2 tp -78.43 -44.51 24.57 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.431 0.692 . . . . 50.0 110.617 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -65.73 -30.65 71.35 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.766 -0.652 . . . . 50.0 111.848 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.1 21.89 4.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.108 -0.37 . . . . 25.0 110.179 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.72 152.63 30.57 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.193 0.52 . . . . 50.0 110.133 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -133.62 -48.9 0.83 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.383 0.611 . . . . 50.0 109.619 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -83.53 82.08 8.45 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.02 -1.474 . . . . 50.0 107.02 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.4 m -63.28 -22.7 31.42 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 115.325 -0.852 . . . . 50.0 112.115 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.33 -43.13 67.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.569 -0.53 . . . . 50.0 109.569 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.51 -34.7 60.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.386 0.513 . . . . 25.0 112.386 -174.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.41 -36.68 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.666 -0.864 . . . . 50.0 108.666 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -79.99 -23.99 41.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.588 -0.733 . . . . 50.0 110.952 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.45 -23.44 64.44 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 116.558 -0.292 . . . . 25.0 110.98 174.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.1 t -92.9 -48.4 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.762 0.791 . . . . 50.0 110.406 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.1 mmt -68.22 -52.8 30.14 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 112.687 0.625 . . . . 50.0 112.687 -173.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -35.98 82.15 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.574 -0.528 . . . . 50.0 109.574 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -58.88 -49.29 78.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.447 -0.501 . . . . 50.0 109.932 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -21.0 48.65 Favored 'General case' 0 C--O 1.206 -1.217 0 C-N-CA 119.153 -1.019 . . . . 50.0 109.852 -174.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.62 -25.08 66.42 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 122.1 -0.375 . . . . 25.0 110.492 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -100.18 -27.05 13.72 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.509 0.671 . . . . 50.0 110.531 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -95.19 19.74 10.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.937 0.875 . . . . 50.0 109.278 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.9 32.29 2.72 Favored Glycine 0 C--O 1.216 -1.003 0 CA-C-N 115.326 -0.852 . . . . 25.0 112.758 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -115.88 -7.82 11.98 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 120.616 0.246 . . . . 25.0 111.173 171.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.43 -156.46 30.37 Favored Glycine 0 N--CA 1.435 -1.399 0 CA-C-O 122.964 1.314 . . . . 50.0 110.611 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -149.61 159.27 44.46 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 113.186 -1.507 . . . . 50.0 108.993 -174.693 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.07 170.5 16.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 123.386 0.674 . . . . 50.0 110.521 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -119.53 -174.13 2.67 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.391 -1.337 . . . . 50.0 107.391 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -53.57 -47.75 69.81 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 113.183 0.808 . . . . 50.0 113.183 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -55.01 -45.25 75.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 118.082 0.401 . . . . 50.0 110.629 -177.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.03 -42.88 65.82 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 122.018 0.913 . . . . 50.0 109.891 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -40.79 77.99 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.902 -1.044 . . . . 50.0 110.477 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.7 t -71.9 -36.91 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 122.252 -0.28 . . . . 50.0 111.004 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.31 -45.25 93.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.445 -0.576 . . . . 50.0 109.445 177.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.1 mt -68.39 -37.86 80.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.185 0.517 . . . . 50.0 110.846 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.7 t -63.35 -43.8 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.292 -0.413 . . . . 50.0 110.051 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.31 86.25 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.999 -0.438 . . . . 25.0 110.566 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.33 96.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.376 0.608 . . . . 25.0 110.046 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.56 -37.94 80.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.351 0.596 . . . . 50.0 109.952 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.3 m -60.73 -47.91 84.18 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.389 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.54 -23.58 33.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 N-CA-C 113.207 0.818 . . . . 50.0 113.207 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.73 -4.93 0.5 Allowed 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 113.293 0.849 . . . . 25.0 113.293 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -15.71 60.8 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.217 -1.552 . . . . 25.0 112.304 -176.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -43.29 -31.56 0.65 Allowed 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 116.201 1.926 . . . . 25.0 116.201 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -58.79 -25.35 63.02 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.343 0.868 . . . . 50.0 113.343 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -66.69 -22.18 66.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.368 0.604 . . . . 75.0 110.689 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -111.39 13.07 21.55 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.796 -0.638 . . . . 50.0 111.067 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -109.93 103.84 12.67 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 122.319 1.057 . . . . 50.0 110.19 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.0 90.38 8.33 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.893 -1.048 . . . . 50.0 109.827 -177.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.6 p . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.229 -1.367 . . . . 25.0 110.548 176.877 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 119.549 -0.584 . . . . 25.0 111.747 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.34 174.65 3.16 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 173.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.37 -44.04 95.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.198 0.523 . . . . 75.0 111.518 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.02 -39.9 90.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.011 0.91 . . . . 50.0 109.576 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -65.76 -38.42 89.03 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 121.832 -0.542 . . . . 50.0 111.126 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.2 p -71.8 -27.97 63.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.464 -0.495 . . . . 25.0 110.111 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.68 89.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -71.8 -31.46 66.59 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.68 0.622 . . . . 50.0 112.68 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.98 -27.24 64.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.402 -0.592 . . . . 50.0 109.402 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.0 m -64.29 -43.04 96.01 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.981 0.42 . . . . 25.0 110.179 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.32 -35.52 77.62 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.701 -0.481 . . . . 50.0 109.701 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -65.52 -45.49 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 109.65 -0.5 . . . . 50.0 109.65 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -57.61 -50.13 74.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 75.0 110.526 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.66 -43.1 98.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.411 -0.813 . . . . 50.0 111.754 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -61.92 -46.99 86.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.839 -0.538 . . . . 50.0 110.415 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -67.08 -25.42 66.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.394 -0.366 . . . . 50.0 111.829 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.92 80.38 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.184 0.438 . . . . 25.0 112.184 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -99.41 -10.63 21.98 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 120.817 0.341 . . . . 25.0 110.879 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.2 m -65.98 156.75 32.68 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.924 0.868 . . . . 25.0 111.155 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.82 -11.19 62.58 Favored Glycine 0 CA--C 1.507 -0.439 0 CA-C-N 115.087 -0.961 . . . . 25.0 111.55 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -32.99 72.85 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.29 0.478 . . . . 50.0 112.29 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -80.54 -24.79 39.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 122.06 0.933 . . . . 50.0 111.519 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.52 -30.31 4.28 Favored Glycine 0 C--O 1.241 0.591 0 CA-C-N 115.417 -0.81 . . . . 50.0 113.602 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -94.78 142.65 27.22 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 118.141 0.971 . . . . 50.0 110.552 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.27 -25.85 51.85 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 113.655 0.984 . . . . 25.0 113.655 -166.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -101.17 12.13 38.14 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.141 -0.689 . . . . 50.0 109.141 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -131.44 153.79 49.36 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.939 -0.573 . . . . 50.0 110.397 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.19 138.07 41.54 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 106.406 -1.701 . . . . 50.0 106.406 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.9 152.58 44.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.474 0.546 . . . . 50.0 112.474 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -65.5 -52.02 55.8 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.215 0.916 . . . . 50.0 112.142 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -30.84 64.66 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.627 -0.67 . . . . 50.0 112.062 177.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -81.03 -23.53 38.54 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 121.218 0.532 . . . . 50.0 111.192 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 15.3 tp -66.48 -31.36 72.04 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 121.465 -0.772 . . . . 50.0 109.96 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -60.12 -32.65 71.2 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 116.094 -0.503 . . . . 50.0 110.497 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -66.18 -48.72 69.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.779 -0.823 . . . . 50.0 108.779 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.33 -45.56 91.03 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.188 -0.671 . . . . 50.0 109.188 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.51 -30.18 71.09 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.06 -0.518 . . . . 50.0 111.579 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -81.47 -21.76 38.52 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 113.253 0.835 . . . . 50.0 113.253 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 35.5 m -100.75 -48.66 4.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.568 -1.651 . . . . 25.0 111.986 -173.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -94.18 -39.99 10.26 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 111.94 0.348 . . . . 50.0 111.94 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.0 tp -90.57 10.61 24.84 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.298 1.047 . . . . 50.0 108.477 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -37.36 27.8 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 115.624 1.713 . . . . 50.0 115.624 177.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.98 -29.24 73.41 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 118.543 0.61 . . . . 50.0 112.173 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -80.7 -28.09 36.77 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.887 -0.773 . . . . 50.0 109.355 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.29 -40.8 77.49 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.259 0.349 . . . . 50.0 110.353 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.84 -35.6 81.12 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.894 0.854 . . . . 50.0 110.605 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.86 38.32 1.95 Allowed 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.532 -0.758 . . . . 25.0 109.888 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -71.28 157.6 37.83 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.402 -0.962 . . . . 50.0 108.402 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -135.36 -42.94 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.928 -0.397 . . . . 50.0 109.928 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -85.11 89.84 7.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.311 -0.626 . . . . 50.0 109.311 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 30.0 m -67.6 -22.12 28.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.844 -0.616 . . . . 50.0 111.944 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.73 -46.58 21.38 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.503 -0.554 . . . . 50.0 109.503 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.07 64.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -176.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.72 -37.8 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.435 -0.58 . . . . 50.0 109.435 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.31 -31.08 38.23 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.903 -0.589 . . . . 50.0 110.786 -174.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -64.08 -33.86 76.72 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.5 t -69.18 -40.66 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 107.976 -1.12 . . . . 50.0 107.976 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.9 mmt -70.21 -48.48 56.87 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 115.03 -0.986 . . . . 50.0 111.624 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -37.08 86.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.266 -0.272 . . . . 50.0 110.266 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -59.52 -48.55 81.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.72 -20.5 53.44 Favored 'General case' 0 C--O 1.212 -0.898 0 C-N-CA 118.854 -1.138 . . . . 50.0 110.082 -173.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.7 -25.01 65.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.902 0.382 . . . . 25.0 110.617 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -101.31 -25.71 13.87 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.167 0.508 . . . . 50.0 110.292 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' B' ' 66' ' ' ASP . 55.5 m-80 -94.88 25.34 4.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.104 -1.072 . . . . 50.0 108.104 174.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.77 29.9 4.0 Favored Glycine 0 C--O 1.224 -0.473 0 CA-C-O 122.206 0.892 . . . . 25.0 110.902 -177.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' B' ' 64' ' ' ASN . 15.6 p-10 -104.53 -29.88 10.38 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.979 -0.61 . . . . 25.0 110.497 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -101.08 -149.44 23.06 Favored Glycine 0 N--CA 1.437 -1.273 0 CA-C-O 122.349 0.972 . . . . 50.0 114.271 -173.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -149.72 156.49 41.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.217 -0.992 . . . . 50.0 110.616 -171.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -128.58 174.13 12.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.313 -0.858 . . . . 50.0 110.56 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -124.04 -174.47 3.0 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.364 -1.717 . . . . 50.0 106.364 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -52.38 -47.88 65.93 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 113.293 0.849 . . . . 50.0 113.293 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -55.46 -46.95 76.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.421 0.555 . . . . 50.0 111.442 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -42.84 70.37 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 122.184 0.993 . . . . 50.0 109.156 -173.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -40.11 86.2 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.01 -0.995 . . . . 50.0 110.611 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.2 t -71.45 -36.47 60.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 121.113 -0.235 . . . . 50.0 110.856 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.52 -46.02 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 109.323 -0.621 . . . . 50.0 109.323 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.8 mt -69.98 -37.19 75.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.115 -0.493 . . . . 50.0 110.923 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 t -62.8 -43.54 98.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.544 -0.539 . . . . 50.0 109.544 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.14 84.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.056 -0.403 . . . . 25.0 110.728 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.78 98.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.27 0.557 . . . . 25.0 110.284 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.87 -34.34 73.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.352 0.596 . . . . 50.0 109.811 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 88.7 m -62.95 -42.4 99.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.032 -0.418 . . . . 25.0 111.428 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.49 -26.35 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 119.412 1.005 . . . . 50.0 111.346 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.62 -21.68 65.38 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 122.147 0.975 . . . . 25.0 110.002 173.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -77.28 -14.94 59.65 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.142 1.377 . . . . 25.0 112.628 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -42.43 -16.19 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 121.022 3.712 . . . . 25.0 121.022 -171.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -15.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 118.353 2.723 . . . . 50.0 118.353 -172.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -51.65 -31.84 27.05 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.39 0.996 . . . . 50.0 110.94 172.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -95.85 16.63 17.09 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.98 0.733 . . . . 50.0 112.98 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -114.78 111.23 20.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.811 0.815 . . . . 50.0 109.553 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.68 86.8 3.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.338 -0.847 . . . . 50.0 110.195 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 44.3 m . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.402 -0.809 . . . . 25.0 109.966 176.323 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.803 0 CA-C-O 118.509 -1.162 . . . . 25.0 111.396 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m -64.96 171.21 3.67 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 117.88 0.84 . . . . 25.0 108.903 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -35.33 78.07 Favored 'General case' 0 C--O 1.214 -0.813 0 C-N-CA 120.353 -0.539 . . . . 75.0 110.096 177.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 tt -66.58 -42.3 87.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.349 0.595 . . . . 50.0 110.612 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -64.97 -41.65 95.27 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.707 -0.621 . . . . 50.0 110.684 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.3 p -74.0 -28.46 61.46 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.081 -0.34 . . . . 25.0 110.081 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -47.15 86.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.037 -1.097 . . . . 25.0 108.037 175.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.7 mmm -69.71 -32.27 70.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.876 -0.515 . . . . 50.0 111.985 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -67.46 -31.0 70.86 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.04 -0.726 . . . . 50.0 109.04 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 m -63.76 -43.4 96.55 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 174.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.74 -37.25 85.83 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.404 -0.591 . . . . 50.0 109.404 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.03 -48.26 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.427 -0.583 . . . . 50.0 109.427 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -59.81 -49.52 77.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.848 0.356 . . . . 50.0 111.601 -177.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 p -69.34 -34.59 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 122.31 -0.244 . . . . 50.0 110.854 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -61.12 -46.74 89.34 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.432 -0.793 . . . . 50.0 110.07 172.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -63.08 -30.68 71.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.588 -177.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.2 -39.01 77.88 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -95.06 -13.84 24.81 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.747 0.277 . . . . 25.0 111.747 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 m -70.89 161.47 30.97 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.601 0.963 . . . . 25.0 113.601 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.9 -10.58 29.67 Favored Glycine 0 N--CA 1.475 1.279 0 N-CA-C 110.222 -1.151 . . . . 25.0 110.222 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -61.88 -39.81 93.22 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 109.845 -0.428 . . . . 50.0 109.845 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -96.06 41.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 123.292 1.52 . . . . 50.0 114.412 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.31 -30.92 3.58 Favored Glycine 0 C--N 1.308 -0.975 0 N-CA-C 117.541 1.776 . . . . 50.0 117.541 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -122.07 147.1 46.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 118.058 0.929 . . . . 50.0 113.211 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -24.12 66.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 115.782 1.771 . . . . 25.0 115.782 -174.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -105.53 15.28 27.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 118.192 0.451 . . . . 50.0 110.75 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -124.56 138.85 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.689 0.757 . . . . 50.0 111.539 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.52 134.37 48.66 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 107.468 -1.308 . . . . 50.0 107.468 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.16 153.68 42.83 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 119.548 -0.861 . . . . 50.0 109.652 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -64.06 -43.62 94.92 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 113.422 0.897 . . . . 50.0 113.422 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -30.57 71.65 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.446 1.021 . . . . 50.0 110.189 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -77.99 -27.77 49.15 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.353 -0.839 . . . . 50.0 110.169 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.2 tp -63.7 -33.58 75.95 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 121.919 -0.488 . . . . 50.0 110.67 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -60.5 -32.41 71.42 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 120.729 -0.389 . . . . 50.0 110.743 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.25 -48.73 76.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.279 -0.637 . . . . 50.0 109.279 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.18 -46.21 90.48 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.119 -0.697 . . . . 50.0 109.119 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.68 -31.08 72.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 50.0 111.892 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.98 -22.4 36.62 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 122.876 0.471 . . . . 50.0 111.874 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.0 m -97.88 -59.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.581 0.586 . . . . 25.0 112.581 -175.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -85.94 -25.56 26.01 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.391 0.515 . . . . 50.0 112.391 -174.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.9 tp -103.56 10.76 36.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.941 -0.763 . . . . 50.0 108.941 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -48.02 -39.15 18.89 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.677 1.732 . . . . 50.0 115.677 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.27 65.02 Favored Glycine 0 C--N 1.324 -0.098 0 N-CA-C 110.7 -0.96 . . . . 50.0 110.7 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -70.03 -32.66 70.9 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.778 -0.837 . . . . 50.0 108.906 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -41.95 76.45 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 120.782 0.325 . . . . 50.0 110.889 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.69 -35.77 80.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.666 0.746 . . . . 50.0 111.004 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.8 29.08 3.53 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.76 -0.655 . . . . 25.0 110.156 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.4 153.18 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.035 -0.728 . . . . 50.0 109.035 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -126.4 -50.23 1.53 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.486 -0.931 . . . . 50.0 108.486 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -86.01 82.12 8.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.867 0.841 . . . . 50.0 109.208 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.41 -23.03 32.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 114.909 -1.041 . . . . 50.0 113.452 -174.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.32 -42.94 61.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.31 0.576 . . . . 50.0 109.703 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.77 62.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.875 -174.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -64.6 -37.9 81.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.424 -0.954 . . . . 50.0 108.424 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -77.42 -28.05 52.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.485 -0.78 . . . . 50.0 111.814 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -55.75 -39.96 71.9 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 122.353 -0.217 . . . . 25.0 110.994 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.8 t -74.26 -45.62 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.367 0.603 . . . . 50.0 110.105 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -67.72 -47.18 70.09 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 112.525 0.565 . . . . 50.0 112.525 -173.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -65.77 -35.3 80.33 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.774 -0.371 . . . . 50.0 110.523 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -47.55 81.62 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.441 -0.577 . . . . 50.0 109.441 177.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.48 -20.47 56.96 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 119.704 -0.798 . . . . 50.0 109.721 -172.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -24.67 67.91 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.508 -0.477 . . . . 25.0 111.099 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -102.83 -27.44 12.66 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.627 0.727 . . . . 50.0 111.237 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -97.11 13.97 27.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.524 -0.762 . . . . 50.0 110.871 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.41 -19.53 62.3 Favored Glycine 0 C--O 1.219 -0.798 0 N-CA-C 114.958 0.743 . . . . 25.0 114.958 -171.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -87.29 3.84 45.15 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.842 0.829 . . . . 25.0 109.886 -172.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.34 -158.44 34.07 Favored Glycine 0 N--CA 1.421 -2.335 0 N-CA-C 106.402 -2.679 . . . . 50.0 106.402 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.74 165.43 35.34 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.817 -0.692 . . . . 50.0 109.86 -174.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.2 167.65 18.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.068 -0.969 . . . . 50.0 109.214 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -123.06 -174.17 2.88 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 105.491 -2.04 . . . . 50.0 105.491 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -52.37 -46.96 66.42 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 113.574 0.953 . . . . 50.0 113.574 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -55.11 -48.12 74.05 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.517 0.599 . . . . 50.0 111.064 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -73.02 -40.83 64.84 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-O 121.873 0.844 . . . . 50.0 108.861 -171.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -42.36 86.91 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.065 -0.971 . . . . 50.0 110.08 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.6 t -71.1 -37.38 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 122.027 -0.421 . . . . 50.0 111.306 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.15 -43.91 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 109.341 -0.614 . . . . 50.0 109.341 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.38 -36.28 71.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.547 -0.297 . . . . 50.0 111.532 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.5 t -62.65 -43.06 98.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.225 -0.657 . . . . 50.0 109.225 175.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.1 83.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.152 -0.343 . . . . 25.0 110.763 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.73 94.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 25.0 110.469 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.21 -34.48 72.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.127 0.489 . . . . 50.0 109.797 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.1 m -64.14 -42.35 96.83 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 122.21 -0.307 . . . . 25.0 111.22 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' A' ' 85' ' ' SNC . 33.3 m -73.52 -19.04 17.9 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 O-C-N 121.353 -0.842 . . . . 50.0 112.189 177.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.09 0.46 1.94 Allowed 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 121.954 0.883 . . . . 25.0 110.965 169.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . 0.402 ' H ' ' C ' ' A' ' 83' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -57.65 -26.16 61.24 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 121.06 -1.025 . . . . 25.0 113.239 -172.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -53.14 -22.75 6.81 Favored 'General case' 0 C--O 1.219 -0.527 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -56.66 -26.11 55.45 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.595 0.961 . . . . 50.0 113.595 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.466 ' HB3' ' CE2' ' B' ' 26' ' ' TYR . 25.4 m-85 -63.23 -21.89 66.51 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 121.136 -0.978 . . . . 75.0 112.067 176.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -116.31 -10.49 11.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.426 0.631 . . . . 50.0 112.498 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -130.0 99.19 5.0 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 106.009 -1.849 . . . . 50.0 106.009 173.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -98.81 77.95 2.28 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.555 -1.202 . . . . 50.0 110.861 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.7 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.167 -0.921 . . . . 25.0 109.07 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.002 0 CA-C-O 119.388 -0.674 . . . . 25.0 111.581 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 97.4 p -70.26 172.67 7.8 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 172.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -63.98 -31.11 72.17 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.071 -0.652 . . . . 75.0 110.227 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tt -67.77 -43.13 80.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.849 0.833 . . . . 50.0 109.114 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.14 -35.58 76.53 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.76 -0.587 . . . . 50.0 111.072 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.7 p -73.31 -27.48 61.56 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.265 -0.574 . . . . 25.0 109.636 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.22 91.99 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 107.442 -1.318 . . . . 25.0 107.442 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.8 mmm -70.95 -32.43 69.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.982 0.734 . . . . 50.0 112.982 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.48 -27.94 66.59 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.603 -0.685 . . . . 50.0 109.177 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.6 m -63.78 -42.82 97.69 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.24 -37.07 85.79 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.706 -0.479 . . . . 50.0 109.706 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -63.69 -48.83 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 109.529 -0.545 . . . . 50.0 109.529 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -60.53 -45.66 93.02 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 112.407 0.521 . . . . 75.0 112.407 -177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 p -73.35 -34.85 44.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 119.235 -0.412 . . . . 50.0 111.424 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -59.04 -49.95 75.96 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.989 0.813 . . . . 50.0 108.843 172.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -62.28 -23.7 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.047 -0.979 . . . . 50.0 113.5 -175.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.89 97.57 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.355 -0.216 . . . . 25.0 111.464 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -91.54 -17.9 24.94 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.445 0.165 . . . . 25.0 111.445 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -56.94 154.81 8.9 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.32 16.89 54.7 Favored Glycine 0 C--O 1.228 -0.26 0 N-CA-C 115.279 0.871 . . . . 25.0 115.279 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -66.13 -31.37 72.19 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 107.976 -1.12 . . . . 50.0 107.976 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -91.7 -3.09 56.67 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 114.436 -1.256 . . . . 50.0 112.841 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.44 -30.87 8.79 Favored Glycine 0 CA--C 1.521 0.445 0 CA-C-O 119.661 -0.522 . . . . 50.0 114.093 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -82.61 110.54 17.78 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 106.587 -1.635 . . . . 50.0 106.587 174.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -76.95 -14.08 59.9 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 115.318 1.599 . . . . 25.0 115.318 -168.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.466 ' CE2' ' HB3' ' A' ' 89' ' ' PHE . 11.5 m-30 -101.75 10.41 40.02 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.603 -0.888 . . . . 50.0 108.603 -178.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -123.59 166.74 14.95 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 123.984 0.914 . . . . 50.0 109.028 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 138.49 24.93 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 105.941 -1.874 . . . . 50.0 105.941 170.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -70.26 151.61 45.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 119.033 0.833 . . . . 50.0 109.983 -177.22 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -61.26 -42.21 98.23 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.53 0.937 . . . . 50.0 113.53 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -28.4 68.77 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.393 0.997 . . . . 50.0 110.72 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.18 -23.51 47.57 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.9 -0.778 . . . . 50.0 108.9 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 tp -70.34 -30.67 67.68 Favored 'General case' 0 C--O 1.219 -0.538 0 O-C-N 121.787 -0.57 . . . . 50.0 110.062 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -61.9 -34.46 76.09 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.731 -0.47 . . . . 50.0 109.731 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -65.71 -49.39 68.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.809 -0.811 . . . . 50.0 108.809 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.33 -45.35 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.366 0.603 . . . . 50.0 110.121 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.26 -29.78 71.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.136 0.493 . . . . 50.0 111.286 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -81.89 -22.39 36.88 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.984 0.364 . . . . 50.0 111.984 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -98.62 -54.37 3.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.692 -0.685 . . . . 25.0 111.485 -173.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -91.09 -26.89 18.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.181 0.515 . . . . 50.0 112.382 -173.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 tp -105.87 12.21 30.96 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.593 0.711 . . . . 50.0 109.312 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.08 -39.15 8.9 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.428 1.64 . . . . 50.0 115.428 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.99 -32.82 77.8 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.007 -1.092 . . . . 50.0 113.065 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -70.8 -27.69 64.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.508 -0.996 . . . . 50.0 109.258 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.0 mt -77.93 -37.48 47.59 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.642 0.589 . . . . 50.0 111.215 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.8 -34.49 78.28 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 122.074 0.94 . . . . 50.0 109.519 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.72 31.75 4.27 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 115.12 -0.945 . . . . 25.0 110.639 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -62.9 162.57 10.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.973 0.416 . . . . 50.0 109.92 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -136.31 -61.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.444 -0.344 . . . . 50.0 111.083 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -76.86 92.14 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.726 -0.842 . . . . 50.0 108.726 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.1 m -66.22 -27.34 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.014 -0.539 . . . . 50.0 111.429 -175.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.45 -43.46 49.47 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.508 -0.553 . . . . 50.0 109.508 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.06 -40.07 63.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.047 -0.408 . . . . 25.0 112.072 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.84 -39.67 85.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.874 -0.787 . . . . 50.0 108.874 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -30.23 36.74 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.03 0.443 . . . . 50.0 111.062 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -58.28 -36.65 73.6 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 110.121 -0.325 . . . . 25.0 110.121 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.62 -42.43 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.886 -0.783 . . . . 50.0 108.886 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.8 mmt -67.69 -49.43 62.76 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 112.548 0.573 . . . . 50.0 112.548 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -36.3 83.21 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.693 -0.403 . . . . 50.0 110.613 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.87 -41.39 99.36 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.677 -0.409 . . . . 50.0 110.353 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.04 -24.57 47.72 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 118.875 -1.13 . . . . 50.0 110.432 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.14 -26.51 67.74 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.142 0.423 . . . . 25.0 112.142 -176.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -102.38 -20.36 14.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.399 0.619 . . . . 50.0 110.826 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -98.17 12.31 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.808 -0.633 . . . . 50.0 109.619 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.91 -22.22 66.35 Favored Glycine 0 C--O 1.221 -0.665 0 N-CA-C 116.495 1.358 . . . . 25.0 116.495 -167.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -91.37 5.25 50.06 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 121.55 0.69 . . . . 25.0 111.039 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.5 -160.66 36.5 Favored Glycine 0 N--CA 1.417 -2.613 0 N-CA-C 103.376 -3.89 . . . . 50.0 103.376 171.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.1 OUTLIER -146.98 167.01 25.08 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 122.156 -0.614 . . . . 50.0 110.47 -174.264 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.8 m -134.94 167.08 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.15 -0.932 . . . . 50.0 109.84 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -122.03 -173.98 2.78 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 104.773 -2.306 . . . . 50.0 104.773 172.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -52.4 -47.71 66.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.701 1.0 . . . . 50.0 113.701 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -56.62 -47.18 80.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.75 0.705 . . . . 50.0 111.323 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.71 -44.12 74.58 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 122.272 1.034 . . . . 50.0 108.648 -173.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -39.09 89.07 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.995 -1.002 . . . . 50.0 110.436 -176.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.9 t -71.46 -36.58 61.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 122.251 -0.281 . . . . 50.0 110.484 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 59.7 t -58.34 -45.15 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.184 -0.673 . . . . 50.0 109.184 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 48.1 mt -69.45 -37.31 77.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.75 0.309 . . . . 50.0 111.433 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.0 t -63.4 -43.11 98.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.752 -0.462 . . . . 50.0 109.752 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.0 86.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.041 -0.412 . . . . 25.0 110.547 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.2 96.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.311 0.577 . . . . 25.0 110.392 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.04 -34.82 75.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.682 0.753 . . . . 50.0 109.711 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 44.6 m -64.93 -43.6 92.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.111 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -70.81 -21.96 22.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 N-CA-C 113.452 0.908 . . . . 50.0 113.452 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.31 -24.82 57.5 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 122.133 0.968 . . . . 25.0 108.727 171.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.82 -31.76 73.14 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.629 -1.295 . . . . 25.0 113.632 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -56.42 -27.35 56.34 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.351 0.596 . . . . 25.0 111.772 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.409 ' C ' ' H ' ' B' ' 90' ' ' TRP . 5.9 m-85 -85.97 -14.47 44.53 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.128 0.788 . . . . 50.0 113.128 -178.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -73.4 9.24 1.39 Allowed 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 121.381 0.61 . . . . 50.0 111.878 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.409 ' H ' ' C ' ' B' ' 88' ' ' PHE . 86.0 m95 -100.58 11.28 39.82 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 108.759 -0.83 . . . . 50.0 108.759 -179.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -159.16 177.2 11.33 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 101.586 -3.487 . . . . 50.0 101.586 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -94.82 77.91 3.66 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 106.794 -1.558 . . . . 50.0 106.794 162.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 119.112 -0.471 . . . . 25.0 111.609 177.763 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.464 0 CA-C-O 119.347 -0.696 . . . . 25.0 111.711 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.11 175.91 1.91 Allowed 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 172.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -58.82 -45.22 90.46 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.482 0.658 . . . . 75.0 111.634 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.67 -39.73 88.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.047 0.927 . . . . 50.0 109.308 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -67.32 -36.38 81.34 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 121.448 -0.782 . . . . 50.0 111.205 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 p -71.52 -28.13 63.68 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.504 -0.478 . . . . 25.0 109.803 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.41 -46.91 84.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.9 mmm -71.87 -32.11 67.13 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.106 0.78 . . . . 50.0 113.106 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -70.67 -25.54 63.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.173 -0.677 . . . . 50.0 109.173 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -66.01 -43.29 88.1 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 122.046 -0.409 . . . . 25.0 110.179 171.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.89 -36.09 76.21 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.835 -0.802 . . . . 50.0 108.835 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.83 -46.09 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.678 -0.49 . . . . 50.0 109.678 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.87 -48.5 81.17 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.189 0.518 . . . . 50.0 110.801 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.4 t -63.35 -43.66 98.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.473 -0.785 . . . . 50.0 111.556 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.62 -49.6 75.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.385 0.612 . . . . 50.0 109.907 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -59.1 -31.3 68.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.462 -0.79 . . . . 50.0 112.06 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.67 85.24 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.137 0.421 . . . . 25.0 112.137 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -90.39 -20.22 23.08 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.347 0.499 . . . . 25.0 112.347 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -59.71 159.53 8.59 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.121 1.156 . . . . 25.0 114.121 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.5 22.05 52.1 Favored Glycine 0 C--O 1.228 -0.239 0 C-N-CA 120.8 -0.714 . . . . 25.0 114.503 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -69.0 -32.31 71.77 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 107.942 -1.133 . . . . 50.0 107.942 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.89 -6.31 58.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.814 -1.539 . . . . 50.0 111.688 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.09 -30.17 10.96 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 115.841 -0.618 . . . . 50.0 113.569 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -84.0 107.44 16.36 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 107.027 -1.472 . . . . 50.0 107.027 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -71.26 -8.79 55.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 114.2 1.185 . . . . 25.0 114.2 -170.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -100.8 5.74 43.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.797 -0.565 . . . . 50.0 109.909 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -119.84 160.19 23.12 Favored 'General case' 0 CA--C 1.509 -0.599 0 C-N-CA 123.891 0.876 . . . . 50.0 111.397 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 tp -142.71 128.64 19.52 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.782 -1.562 . . . . 50.0 106.782 170.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -64.27 146.87 53.64 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.816 -0.809 . . . . 50.0 108.816 -178.601 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -60.58 -41.33 94.42 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 113.396 0.887 . . . . 50.0 113.396 -174.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -28.46 69.42 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.821 -1.175 . . . . 50.0 110.251 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -81.59 -24.9 36.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.504 0.669 . . . . 50.0 109.525 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 tp -67.2 -37.02 82.94 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.385 -0.598 . . . . 50.0 109.385 173.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -60.43 -33.58 72.73 Favored 'General case' 0 C--O 1.215 -0.757 0 C-N-CA 120.403 -0.519 . . . . 50.0 110.487 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -63.5 -48.16 78.74 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.864 -0.791 . . . . 50.0 108.864 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.31 -46.55 88.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.457 0.646 . . . . 50.0 109.311 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.35 -32.08 72.81 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.789 -0.642 . . . . 50.0 111.576 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -81.79 -22.82 36.93 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 122.965 0.506 . . . . 50.0 110.9 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.4 m -90.56 -51.59 5.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.88 -0.6 . . . . 25.0 111.896 -176.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -93.8 -42.93 8.85 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.438 0.532 . . . . 50.0 112.438 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 tp -86.58 10.18 16.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.649 0.738 . . . . 50.0 109.899 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -38.13 21.08 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 115.303 1.594 . . . . 50.0 115.303 174.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.18 -34.17 61.48 Favored Glycine 0 C--O 1.227 -0.305 0 C-N-CA 120.479 -0.867 . . . . 50.0 111.389 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -71.84 -30.45 65.49 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.695 -0.886 . . . . 50.0 109.086 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -70.43 -41.03 73.44 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 120.67 0.272 . . . . 50.0 110.594 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -66.51 -35.37 80.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.656 0.741 . . . . 50.0 110.781 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.65 42.22 1.27 Allowed 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.713 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -71.91 156.02 39.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.128 -0.942 . . . . 50.0 108.718 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -127.88 -53.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.406 0.622 . . . . 50.0 109.624 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.42 84.21 7.73 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.552 0.691 . . . . 50.0 109.48 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.7 m -61.63 -25.96 38.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.277 -0.874 . . . . 50.0 111.77 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.425 ' CG ' ' HZ3' ' A' ' 56' ' ' LYS . 34.3 t70 -69.47 -39.71 77.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.219 0.533 . . . . 50.0 110.771 177.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.01 -37.81 25.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 p -64.71 -38.33 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 108.946 -0.761 . . . . 50.0 108.946 -176.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -79.24 -27.72 42.41 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.556 -0.747 . . . . 50.0 110.659 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 2.8 ttmm -60.29 -38.41 83.53 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.507 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.52 -43.13 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.89 0.852 . . . . 50.0 108.759 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.2 mmt -68.2 -49.55 60.06 Favored 'General case' 0 CA--C 1.49 -1.328 0 CA-C-N 115.599 -0.728 . . . . 50.0 112.49 -175.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -35.7 81.39 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.981 -0.288 . . . . 50.0 110.374 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -60.39 -48.12 83.13 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.133 -0.691 . . . . 50.0 109.133 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.03 -21.49 46.82 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 119.237 -0.985 . . . . 50.0 110.905 -174.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.59 -27.48 67.76 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.951 0.405 . . . . 25.0 111.433 -177.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -107.1 -22.97 12.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.332 0.587 . . . . 50.0 111.588 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -96.64 16.25 19.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.865 0.84 . . . . 50.0 109.877 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.43 -18.3 63.12 Favored Glycine 0 C--O 1.216 -1.02 0 N-CA-C 115.701 1.04 . . . . 25.0 115.701 -170.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.96 5.43 50.12 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.759 0.79 . . . . 25.0 110.956 -169.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.35 -157.14 33.37 Favored Glycine 0 N--CA 1.42 -2.408 0 N-CA-C 104.88 -3.288 . . . . 50.0 104.88 173.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.0 pt-20 -148.41 164.29 34.57 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.1 -0.704 . . . . 50.0 109.1 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.49 165.48 24.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.157 -1.053 . . . . 50.0 108.157 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -115.39 -174.12 2.45 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.627 -1.62 . . . . 50.0 106.627 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.53 -47.54 66.63 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.053 0.76 . . . . 50.0 113.053 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -54.75 -47.07 74.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 118.311 0.505 . . . . 50.0 110.906 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.69 -41.65 62.35 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.896 0.855 . . . . 50.0 109.267 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.1 -40.61 73.96 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.318 -0.855 . . . . 50.0 109.914 178.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 77.1 t -72.15 -37.21 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 122.239 -0.288 . . . . 50.0 111.069 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.5 t -57.82 -46.78 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 121.477 0.656 . . . . 50.0 109.262 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.68 -37.12 76.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.911 -0.586 . . . . 50.0 110.949 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.9 t -63.44 -43.79 98.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.614 -0.513 . . . . 50.0 109.614 175.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.38 85.82 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.065 -0.397 . . . . 25.0 110.665 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.16 98.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.33 0.586 . . . . 25.0 110.35 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 tt -68.56 -37.26 79.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 50.0 109.901 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.241 -0.436 . . . . 25.0 111.414 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.32 -26.8 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 119.167 0.894 . . . . 50.0 112.045 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.33 -4.38 21.87 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.789 0.804 . . . . 25.0 111.437 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -95.8 -11.32 27.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.474 2.31 . . . . 25.0 115.439 -173.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -43.07 -21.12 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 115.53 1.678 . . . . 25.0 115.53 -171.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -40.89 -21.17 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 118.01 2.596 . . . . 50.0 118.01 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -57.2 -26.91 61.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 119.453 1.024 . . . . 75.0 111.899 174.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -124.0 10.61 8.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.404 -0.362 . . . . 50.0 111.523 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -144.21 113.75 7.09 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.872 0.693 . . . . 50.0 112.872 -175.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -94.77 77.96 3.69 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.05 -0.722 . . . . 50.0 109.05 174.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.241 0.652 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 178.387 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.527 0 CA-C-O 119.471 -0.627 . . . . 25.0 111.757 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -70.38 178.62 2.82 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 107.95 -1.13 . . . . 25.0 107.95 171.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.44 -43.69 96.58 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.354 0.597 . . . . 75.0 110.794 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.68 -42.24 91.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.827 0.822 . . . . 50.0 109.607 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.58 -34.8 77.77 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.348 -0.845 . . . . 50.0 111.712 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.8 p -71.3 -28.24 63.97 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.186 -0.606 . . . . 25.0 109.841 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.79 83.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 175.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -71.12 -32.98 69.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.069 0.766 . . . . 50.0 113.069 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -69.62 -26.24 64.33 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 109.381 -0.6 . . . . 50.0 109.381 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 58.5 m -65.64 -43.58 89.01 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 122.02 -0.425 . . . . 25.0 110.298 171.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.3 -36.06 77.01 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.141 -0.688 . . . . 50.0 109.141 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.52 -46.11 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 109.767 -0.457 . . . . 50.0 109.767 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -58.71 -50.77 72.67 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.149 0.5 . . . . 75.0 110.716 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.64 -43.01 98.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.427 -0.806 . . . . 50.0 111.455 -178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -62.07 -48.86 78.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.827 -0.545 . . . . 50.0 110.627 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -63.45 -28.06 69.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 50.0 111.86 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.51 97.41 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.928 0.344 . . . . 25.0 111.928 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -92.38 -16.85 25.43 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.784 0.326 . . . . 25.0 111.269 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.2 m -63.56 150.77 43.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.241 0.543 . . . . 25.0 110.725 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.93 -3.62 48.76 Favored Glycine 0 C--O 1.223 -0.587 0 C-N-CA 120.95 -0.643 . . . . 25.0 113.994 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -57.88 -42.41 84.55 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 117.637 0.719 . . . . 50.0 111.039 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -79.92 -25.15 40.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.432 0.901 . . . . 50.0 113.432 -174.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.82 -29.78 4.34 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.186 -0.916 . . . . 50.0 115.064 -176.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -85.7 126.92 34.32 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 105.445 -2.057 . . . . 50.0 105.445 169.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.34 -30.08 68.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -170.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -105.77 18.2 22.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.997 0.427 . . . . 50.0 110.733 -174.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -127.11 157.17 40.4 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.104 -1.073 . . . . 50.0 108.104 175.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.71 130.33 34.04 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 106.999 -1.482 . . . . 50.0 106.999 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.53 150.42 48.41 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.04 -0.355 . . . . 50.0 110.04 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -66.9 -39.35 87.4 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 113.461 0.911 . . . . 50.0 113.461 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -29.68 70.55 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.714 1.143 . . . . 50.0 109.677 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.91 -24.26 38.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.701 -0.681 . . . . 50.0 110.322 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 tp -65.51 -34.43 78.25 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.753 -0.592 . . . . 50.0 109.635 175.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -61.85 -32.55 72.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.291 -0.413 . . . . 50.0 110.593 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -65.48 -48.05 73.95 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.41 -0.959 . . . . 50.0 108.41 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.53 -46.24 87.21 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.135 -0.691 . . . . 50.0 109.135 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 mt -62.45 -31.86 72.64 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.641 -0.708 . . . . 50.0 112.149 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.89 -22.61 36.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.944 0.402 . . . . 50.0 111.165 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.5 m -91.12 -57.26 2.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.205 -175.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -84.21 -44.51 13.85 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.276 0.56 . . . . 50.0 111.568 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tp -88.69 11.9 16.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.989 -0.551 . . . . 50.0 111.984 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -35.58 9.1 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.656 1.354 . . . . 50.0 114.656 174.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.76 -32.61 63.87 Favored Glycine 0 C--O 1.226 -0.386 0 C-N-CA 120.625 -0.797 . . . . 50.0 111.834 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -72.47 -28.72 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.664 -0.904 . . . . 50.0 108.745 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.08 -40.61 71.47 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 110.02 -0.363 . . . . 50.0 110.02 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -66.89 -30.73 70.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.717 0.77 . . . . 50.0 110.287 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.29 19.49 15.34 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.788 -0.642 . . . . 25.0 110.87 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -59.61 149.84 29.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.557 0.694 . . . . 50.0 110.444 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -132.51 -43.55 0.92 Allowed 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.811 -0.811 . . . . 50.0 108.811 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -83.76 89.11 7.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.475 0.655 . . . . 50.0 109.436 175.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -67.23 -23.43 30.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.757 -0.656 . . . . 50.0 111.168 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.463 ' CG ' ' HZ3' ' B' ' 56' ' ' LYS . 32.3 t70 -77.3 -40.88 42.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.917 0.389 . . . . 50.0 110.053 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.15 -37.53 38.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.63 -38.3 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.849 -0.797 . . . . 50.0 108.849 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -80.17 -28.36 38.8 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.562 -0.745 . . . . 50.0 110.169 -176.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.463 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP . 2.1 ttmm -59.58 -38.73 81.98 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 122.186 -0.321 . . . . 25.0 111.706 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.3 -42.78 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.802 0.81 . . . . 50.0 109.141 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.9 mmt -68.18 -46.6 70.22 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.592 -0.731 . . . . 50.0 111.75 -176.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -37.82 84.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.294 -0.412 . . . . 50.0 110.648 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -61.28 -46.08 91.83 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 109.097 -0.705 . . . . 50.0 109.097 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.51 -26.18 54.98 Favored 'General case' 0 C--O 1.201 -1.483 0 C-N-CA 118.614 -1.234 . . . . 50.0 108.9 -171.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.05 -20.86 66.31 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -100.66 -14.03 18.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.526 0.679 . . . . 50.0 110.513 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -112.67 15.15 20.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.454 -0.794 . . . . 50.0 110.417 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.83 -22.33 62.04 Favored Glycine 0 C--O 1.222 -0.612 0 N-CA-C 116.276 1.27 . . . . 25.0 116.276 -166.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -94.7 6.31 49.28 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 121.755 0.788 . . . . 25.0 111.18 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.17 -163.56 38.0 Favored Glycine 0 N--CA 1.409 -3.166 1 N-CA-C 102.237 -4.345 . . . . 50.0 102.237 170.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -149.39 162.32 40.33 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 114.91 -0.645 . . . . 50.0 109.315 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.93 167.44 26.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.074 -0.967 . . . . 50.0 108.938 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -117.95 -174.22 2.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.738 -1.949 . . . . 50.0 105.738 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -52.38 -48.28 65.71 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.565 0.58 . . . . 50.0 112.565 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -53.4 -49.15 67.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.968 0.349 . . . . 50.0 110.979 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -73.46 -41.96 62.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.512 0.673 . . . . 50.0 110.033 -173.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -39.95 74.8 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.849 -0.614 . . . . 50.0 110.304 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.7 t -71.33 -37.64 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 122.392 -0.192 . . . . 50.0 110.773 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.5 -44.67 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.365 0.602 . . . . 50.0 109.888 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.63 -36.3 73.37 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.284 0.564 . . . . 50.0 110.549 -177.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.93 -43.81 99.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.009 -0.737 . . . . 50.0 109.009 174.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.46 83.61 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.963 -0.46 . . . . 25.0 111.36 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.68 98.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.29 0.566 . . . . 25.0 110.294 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -35.1 73.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.347 0.594 . . . . 50.0 109.723 177.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.1 m -60.42 -45.22 94.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.264 -0.425 . . . . 25.0 110.772 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.2 m -72.78 -26.14 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 120.943 -1.098 . . . . 50.0 112.015 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.64 78.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 122.095 0.95 . . . . 25.0 109.614 174.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -98.18 -15.42 19.9 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.859 -1.151 . . . . 25.0 111.402 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -44.42 -21.07 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.403 1.631 . . . . 25.0 115.403 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -42.23 -15.95 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 115.654 1.724 . . . . 50.0 115.654 170.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -53.02 -27.01 17.48 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 120.855 -1.153 . . . . 50.0 112.965 172.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -95.25 10.48 35.92 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.833 0.679 . . . . 50.0 112.833 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -112.94 103.42 11.39 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.223 1.011 . . . . 50.0 109.626 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.13 88.91 5.97 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.064 -0.971 . . . . 50.0 110.969 -175.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.391 -0.814 . . . . 25.0 109.684 174.795 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.813 0 CA-C-O 119.054 -0.859 . . . . 25.0 111.662 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -66.06 177.44 1.38 Allowed 'General case' 0 C--O 1.239 0.532 0 CA-C-N 117.439 0.62 . . . . 25.0 110.548 175.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -61.37 -44.46 97.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.953 0.406 . . . . 75.0 111.001 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tt -66.96 -41.27 87.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.884 0.849 . . . . 50.0 110.379 177.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -63.91 -36.8 85.12 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.571 -0.706 . . . . 50.0 111.373 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.2 p -74.61 -29.83 61.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.614 -0.435 . . . . 25.0 110.45 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.92 95.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.4 mmm -72.82 -32.12 65.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.018 0.747 . . . . 50.0 113.018 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -68.21 -29.2 67.99 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.691 -0.855 . . . . 50.0 108.691 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.2 m -62.59 -44.41 96.39 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.923 0.392 . . . . 25.0 110.69 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.24 -36.22 79.4 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.916 -0.49 . . . . 50.0 110.254 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.5 mt -65.47 -46.06 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 109.133 -0.692 . . . . 50.0 109.133 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -58.31 -45.77 87.41 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.271 0.557 . . . . 50.0 111.528 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.1 t -65.69 -41.76 91.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 115.818 -0.628 . . . . 50.0 111.816 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -61.51 -43.97 97.91 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.783 -0.573 . . . . 50.0 109.904 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -69.46 -19.16 63.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.412 0.523 . . . . 50.0 112.412 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.62 65.75 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 111.932 0.345 . . . . 25.0 111.932 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -116.43 -12.51 11.04 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.8 p -67.87 162.73 23.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.449 0.642 . . . . 25.0 112.167 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.04 -8.45 42.17 Favored Glycine 0 CA--C 1.51 -0.277 0 C-N-CA 121.237 -0.506 . . . . 25.0 112.591 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -63.57 -28.54 70.0 Favored 'General case' 0 C--O 1.219 -0.547 0 O-C-N 122.593 -0.357 . . . . 50.0 111.312 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -109.86 41.97 1.6 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 116.002 1.853 . . . . 50.0 116.002 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.82 -31.06 5.76 Favored Glycine 0 C--N 1.309 -0.926 0 N-CA-C 117.667 1.827 . . . . 50.0 117.667 171.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -123.68 144.61 49.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 118.206 1.003 . . . . 50.0 112.363 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.577 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -56.88 -30.92 64.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.337 -1.301 . . . . 25.0 114.181 -175.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -105.55 15.27 27.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.662 0.268 . . . . 50.0 110.903 -174.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -125.02 149.15 48.05 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.148 0.499 . . . . 50.0 110.167 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.7 tp -140.89 135.67 31.54 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 107.176 -1.416 . . . . 50.0 107.176 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.34 152.7 44.45 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.977 -0.289 . . . . 50.0 110.943 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -64.34 -43.08 95.74 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.193 0.812 . . . . 50.0 113.193 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -31.65 72.97 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.105 0.866 . . . . 50.0 110.079 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -76.68 -27.4 55.55 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.541 -0.754 . . . . 50.0 109.769 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 tp -67.38 -32.95 74.21 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.82 -0.55 . . . . 50.0 110.375 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -58.54 -33.91 70.41 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 120.656 -0.418 . . . . 50.0 110.561 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.03 -48.43 76.36 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.498 -0.556 . . . . 50.0 109.498 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt -59.44 -46.16 89.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.047 -0.723 . . . . 50.0 109.047 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.98 -31.89 73.11 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 121.175 0.512 . . . . 50.0 111.736 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -81.98 -22.18 36.72 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 122.038 -0.414 . . . . 50.0 111.372 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.7 m -97.11 -59.54 1.77 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.826 -0.625 . . . . 25.0 112.313 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -84.57 -28.96 26.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.538 0.57 . . . . 50.0 112.538 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 tp -98.55 7.23 46.41 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.987 -0.746 . . . . 50.0 108.987 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -42.88 -41.67 3.39 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 116.173 1.916 . . . . 50.0 116.173 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.58 -30.19 76.02 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 119.915 -1.136 . . . . 50.0 112.786 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -76.83 -23.48 52.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.604 -0.939 . . . . 50.0 109.955 176.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.04 -35.48 49.65 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.298 -0.63 . . . . 50.0 109.298 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -67.12 -30.79 70.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.724 0.773 . . . . 50.0 109.78 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.97 21.42 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.551 -0.75 . . . . 25.0 111.282 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -60.31 151.54 27.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.964 0.411 . . . . 50.0 110.606 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -132.45 -53.95 0.95 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.116 0.484 . . . . 50.0 110.598 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -80.04 84.05 5.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.612 -0.884 . . . . 50.0 108.612 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.2 m -63.52 -29.95 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.29 -0.414 . . . . 50.0 111.766 -175.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.56 -36.83 83.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.257 0.551 . . . . 50.0 109.651 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.21 -37.63 25.75 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.44 -39.9 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 109.539 -0.541 . . . . 50.0 109.539 -175.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -80.09 -26.47 39.54 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.14 0.495 . . . . 50.0 110.174 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -55.09 -47.26 75.17 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.381 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.14 -39.92 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.006 -0.739 . . . . 50.0 109.006 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.66 -50.76 56.22 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 115.839 -0.619 . . . . 50.0 111.97 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -37.29 85.27 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.627 -0.429 . . . . 50.0 110.706 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.61 -40.93 98.51 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.667 -0.413 . . . . 50.0 110.237 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.69 -24.03 45.29 Favored 'General case' 0 C--O 1.205 -1.254 0 C-N-CA 119.21 -0.996 . . . . 50.0 110.552 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.43 -26.12 68.33 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.111 -0.368 . . . . 25.0 111.625 -177.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -100.04 -24.87 14.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.53 0.681 . . . . 50.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -96.92 15.8 21.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.817 -0.628 . . . . 50.0 110.016 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.04 -20.88 69.3 Favored Glycine 0 C--O 1.218 -0.872 0 N-CA-C 115.915 1.126 . . . . 25.0 115.915 -167.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.0 7.68 36.35 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 122.037 0.922 . . . . 25.0 110.428 -172.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.75 -159.26 35.27 Favored Glycine 0 N--CA 1.417 -2.584 0 N-CA-C 104.215 -3.554 . . . . 50.0 104.215 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -151.54 166.38 31.35 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 122.132 -0.628 . . . . 50.0 110.509 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.34 171.48 15.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.963 -1.017 . . . . 50.0 110.355 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -126.2 -174.08 3.02 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.934 -2.247 . . . . 50.0 104.934 174.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -52.86 -47.7 67.6 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.446 0.906 . . . . 50.0 113.446 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -54.56 -47.86 72.74 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.497 0.589 . . . . 50.0 110.917 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -71.41 -41.08 70.0 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.785 0.802 . . . . 50.0 109.445 -173.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -39.88 86.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.427 -0.806 . . . . 50.0 110.265 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.6 t -71.39 -36.73 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 122.275 -0.266 . . . . 50.0 110.527 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.9 t -59.38 -43.98 91.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.468 -0.567 . . . . 50.0 109.468 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -70.06 -37.24 75.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.887 0.375 . . . . 50.0 111.236 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.9 t -62.7 -42.88 97.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.246 -0.65 . . . . 50.0 109.246 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.12 81.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.051 -0.406 . . . . 25.0 110.706 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.5 94.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.454 0.645 . . . . 25.0 110.099 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.18 -35.92 71.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.382 0.61 . . . . 50.0 109.968 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.4 m -60.85 -46.98 88.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.975 -0.453 . . . . 25.0 109.923 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.2 m -67.07 -19.03 25.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 114.011 1.115 . . . . 50.0 114.011 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.01 0.75 1.12 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 122.026 0.917 . . . . 25.0 111.801 168.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -71.02 -30.12 66.24 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 115.981 1.845 . . . . 25.0 115.981 -174.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -70.62 -27.13 63.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.03 -13.97 62.76 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 113.061 0.763 . . . . 50.0 113.061 174.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.3 m-30 -65.45 -1.16 2.31 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 121.116 -0.99 . . . . 75.0 113.061 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -98.49 14.55 27.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.836 -0.801 . . . . 50.0 108.836 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -153.33 173.66 15.32 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 101.941 -3.355 . . . . 50.0 101.941 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.79 96.38 3.65 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 121.857 -0.527 . . . . 50.0 110.027 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.451 -0.785 . . . . 25.0 112.257 177.692 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 CA-C-O 119.149 -0.806 . . . . 25.0 111.578 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -71.27 177.0 4.11 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 117.625 0.712 . . . . 25.0 109.973 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.02 -29.87 70.81 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 120.423 -0.511 . . . . 75.0 109.763 175.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.45 -43.76 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.615 0.722 . . . . 50.0 109.899 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.19 -41.06 97.26 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.451 -0.781 . . . . 50.0 110.314 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 35.4 p -72.71 -28.86 62.92 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.614 -0.434 . . . . 25.0 110.32 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.57 89.44 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 174.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.5 mmm -71.83 -30.22 65.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.012 0.745 . . . . 50.0 113.012 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.3 -29.05 66.82 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.801 -0.814 . . . . 50.0 108.801 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -64.47 -42.72 95.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.343 -0.389 . . . . 25.0 110.196 173.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.77 -34.52 74.6 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.505 -0.554 . . . . 50.0 109.505 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -67.67 -44.74 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 109.472 -0.566 . . . . 50.0 109.472 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -60.34 -49.03 79.21 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.262 0.553 . . . . 75.0 110.442 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 74.4 t -63.13 -43.32 98.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.42 -0.809 . . . . 50.0 111.205 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.52 -42.86 88.65 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 121.739 -0.6 . . . . 50.0 109.415 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -70.66 -14.16 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.829 1.048 . . . . 50.0 113.829 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.04 77.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.77 -0.372 . . . . 25.0 110.478 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -107.26 -16.17 14.47 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.8 p -59.42 154.23 17.45 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.678 0.622 . . . . 25.0 112.678 -176.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.63 11.42 58.09 Favored Glycine 0 C--O 1.228 -0.272 0 N-CA-C 114.978 0.751 . . . . 25.0 114.978 176.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -66.73 -33.87 76.59 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 1.5 pm0 -88.16 -10.48 49.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.819 -1.082 . . . . 50.0 111.875 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.7 -2.49 30.54 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 117.479 1.752 . . . . 50.0 117.479 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -96.29 162.94 13.29 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 119.296 1.548 . . . . 50.0 111.014 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -27.69 35.07 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.517 -0.739 . . . . 25.0 112.181 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -121.09 11.9 11.01 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 114.339 1.237 . . . . 50.0 114.339 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -123.65 162.97 21.98 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.371 0.532 . . . . 50.0 111.89 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.7 tp -146.81 132.11 18.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.638 -0.875 . . . . 50.0 108.638 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.51 147.15 52.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.084 0.402 . . . . 50.0 110.322 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -62.11 -43.33 99.06 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.715 1.005 . . . . 50.0 113.715 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -29.41 70.42 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.643 0.656 . . . . 50.0 110.242 -178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.01 -24.94 47.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.418 -0.81 . . . . 50.0 109.96 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 35.1 tp -71.05 -26.15 62.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.738 -0.601 . . . . 50.0 110.595 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -63.18 -33.54 75.71 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 119.839 -0.744 . . . . 50.0 109.633 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.64 -45.13 95.25 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.353 -0.61 . . . . 50.0 109.353 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.77 -43.88 95.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.909 -0.587 . . . . 50.0 110.157 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mp -65.19 -27.38 68.66 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.68 0.752 . . . . 50.0 111.555 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.89 -21.49 37.4 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 123.551 0.74 . . . . 50.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 32.8 m -105.77 -60.72 1.6 Allowed 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.43 -20.7 31.39 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.909 0.861 . . . . 50.0 112.327 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.9 tp -110.06 10.26 24.08 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.671 -1.15 . . . . 50.0 109.682 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.69 -37.06 58.32 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.149 1.537 . . . . 50.0 115.149 177.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.69 -30.36 70.73 Favored Glycine 0 C--O 1.221 -0.673 0 O-C-N 121.461 -0.774 . . . . 50.0 111.424 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -79.18 -27.94 42.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.805 -0.821 . . . . 50.0 108.891 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 20.9 tp -68.53 -41.35 80.03 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 121.305 0.574 . . . . 50.0 109.467 177.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.61 -30.86 70.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.691 0.757 . . . . 50.0 110.914 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.12 30.49 2.44 Favored 'General case' 0 C--O 1.246 0.87 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.94 151.35 47.25 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.813 -1.18 . . . . 50.0 107.813 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -133.11 -52.18 0.9 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.158 -1.423 . . . . 50.0 107.158 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -82.02 91.94 6.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.749 -1.114 . . . . 50.0 109.789 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.2 m -66.43 -24.15 32.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.898 -0.592 . . . . 50.0 111.637 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.443 ' CG ' ' HZ2' ' B' ' 56' ' ' LYS . 33.9 t70 -76.71 -40.65 48.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.106 0.479 . . . . 50.0 110.221 179.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.84 -38.61 37.53 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.36 -37.56 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.35 -27.32 38.32 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.79 -0.641 . . . . 50.0 110.662 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.443 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 2.0 ttmm -58.8 -37.19 75.79 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 121.033 -0.267 . . . . 25.0 111.246 178.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.04 -43.73 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.89 0.853 . . . . 50.0 109.441 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.7 mmt -70.63 -45.87 64.4 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.39 -0.823 . . . . 50.0 111.844 -175.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -34.95 79.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.491 -0.189 . . . . 50.0 110.491 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -59.89 -48.36 82.01 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.824 -0.806 . . . . 50.0 108.824 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.35 -18.48 48.95 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 119.232 -0.987 . . . . 50.0 111.297 -174.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.43 -29.99 68.16 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.998 0.428 . . . . 25.0 111.271 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -107.03 -22.65 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.362 0.601 . . . . 50.0 111.788 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -97.28 9.98 40.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.789 0.804 . . . . 50.0 110.968 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.37 -21.73 60.28 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 116.877 1.511 . . . . 25.0 116.877 -169.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -91.32 2.61 56.26 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.637 0.732 . . . . 25.0 110.847 -170.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.59 -159.84 35.48 Favored Glycine 0 N--CA 1.421 -2.348 0 N-CA-C 104.591 -3.404 . . . . 50.0 104.591 173.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.08 158.15 43.86 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.401 -0.592 . . . . 50.0 109.401 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -135.93 167.96 23.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.495 -0.775 . . . . 50.0 109.609 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -117.97 -174.09 2.57 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.062 -1.459 . . . . 50.0 107.062 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -52.3 -48.04 65.57 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 113.585 0.957 . . . . 50.0 113.585 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -55.82 -47.53 77.04 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.523 0.601 . . . . 50.0 110.892 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -72.32 -38.42 68.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.028 0.918 . . . . 50.0 109.946 -173.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -41.09 94.64 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.365 -0.834 . . . . 50.0 109.76 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 73.7 t -71.33 -35.44 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 122.359 -0.213 . . . . 50.0 110.584 -178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.25 -45.82 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 109.376 -0.602 . . . . 50.0 109.376 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.4 mt -69.86 -36.48 75.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.087 0.47 . . . . 50.0 111.092 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 t -63.68 -44.75 98.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.876 -0.416 . . . . 50.0 109.876 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.7 88.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.142 -0.349 . . . . 25.0 110.165 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.91 98.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.333 0.587 . . . . 25.0 110.659 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.6 -33.45 72.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.467 0.651 . . . . 50.0 110.114 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 48.5 m -66.83 -43.41 83.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.191 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.72 -23.88 26.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 O-C-N 121.006 -1.059 . . . . 50.0 111.58 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.85 -5.21 8.38 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.632 -0.668 . . . . 25.0 110.798 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -72.7 -24.54 61.01 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.743 1.757 . . . . 25.0 115.743 -173.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -61.27 -21.9 64.35 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.886 0.85 . . . . 25.0 112.069 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.04 -15.27 62.03 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 113.262 0.838 . . . . 50.0 113.262 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 23.4 m-30 -68.27 -0.86 5.2 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.027 0.83 . . . . 50.0 113.05 -177.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -93.29 10.47 31.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.544 0.688 . . . . 50.0 109.453 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -151.77 171.43 17.72 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 100.626 -3.842 . . . . 50.0 100.626 174.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -90.38 78.03 6.49 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 107.577 -1.268 . . . . 50.0 107.577 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 62.8 m . . . . . 0 C--O 1.245 0.866 0 N-CA-C 113.011 0.745 . . . . 25.0 113.011 -175.707 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -0.969 0 CA-C-O 118.706 -1.052 . . . . 25.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -70.69 167.64 18.26 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.194 -1.41 . . . . 25.0 107.194 172.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.91 -38.1 81.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.316 0.579 . . . . 75.0 110.783 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.54 -40.67 96.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.755 0.788 . . . . 50.0 110.599 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -66.36 -38.04 86.66 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.335 -0.853 . . . . 50.0 111.525 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 p -72.16 -30.21 64.77 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.697 -0.401 . . . . 25.0 109.952 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.47 96.69 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.5 mmm -71.45 -31.04 66.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.356 0.502 . . . . 50.0 112.356 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -69.17 -28.35 66.34 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 119.971 -0.692 . . . . 50.0 109.981 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -61.35 -44.03 97.87 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 122.05 -0.406 . . . . 25.0 110.079 172.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.66 -36.17 82.95 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.562 -0.532 . . . . 50.0 109.562 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.41 -48.76 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 109.305 -0.628 . . . . 50.0 109.305 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -57.29 -51.9 67.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.458 0.17 . . . . 50.0 110.771 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.06 -34.09 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-N 115.915 -0.584 . . . . 50.0 112.438 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.52 -49.25 78.5 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.402 -0.811 . . . . 50.0 109.797 172.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -72.85 -14.13 61.43 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.191 0.811 . . . . 50.0 113.191 -176.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.21 -48.01 69.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.847 -0.427 . . . . 25.0 109.847 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -83.78 -20.33 33.49 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.541 -0.299 . . . . 25.0 111.198 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.3 m -61.86 150.4 37.51 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-O 122.301 1.048 . . . . 25.0 109.03 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.53 2.12 58.85 Favored Glycine 0 N--CA 1.488 2.116 0 CA-C-O 117.391 -1.783 . . . . 25.0 115.373 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -58.29 -36.13 72.85 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.714 1.257 . . . . 50.0 109.915 174.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -95.78 -17.96 20.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 114.437 1.273 . . . . 50.0 114.437 -173.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.65 -30.95 4.09 Favored Glycine 0 C--O 1.227 -0.291 0 N-CA-C 115.091 0.797 . . . . 50.0 115.091 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -89.33 128.63 35.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.593 -1.632 . . . . 50.0 106.593 173.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -93.21 -14.37 27.19 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 -171.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -104.94 5.75 33.04 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 107.103 -1.443 . . . . 50.0 107.103 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -125.87 154.88 42.08 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.201 -1.407 . . . . 50.0 107.201 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.11 136.15 51.72 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 104.585 -2.376 . . . . 50.0 104.585 172.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.66 151.98 45.25 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 119.469 -0.892 . . . . 50.0 109.494 176.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -63.3 -40.25 96.83 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 118.562 0.619 . . . . 50.0 112.594 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -29.32 69.84 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.631 1.105 . . . . 50.0 110.707 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -80.27 -25.1 39.64 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.798 -0.637 . . . . 50.0 110.169 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.6 tp -63.61 -35.06 79.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.173 0.511 . . . . 50.0 110.109 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -58.91 -36.14 74.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.903 -0.589 . . . . 50.0 110.549 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.31 -46.62 82.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.315 -0.624 . . . . 50.0 109.315 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.06 -46.41 89.64 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 109.37 -0.604 . . . . 50.0 109.37 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -62.45 -32.04 72.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.368 0.604 . . . . 50.0 111.132 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -81.73 -19.62 41.03 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 122.862 0.465 . . . . 50.0 111.869 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.7 m -102.15 -52.3 3.18 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.895 0.702 . . . . 25.0 112.895 -176.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -97.26 -16.63 20.25 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.684 0.624 . . . . 50.0 112.684 -172.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.8 tp -115.73 11.0 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.137 -1.061 . . . . 50.0 108.137 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.87 -38.41 22.39 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.666 1.728 . . . . 50.0 115.666 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.34 -29.53 68.2 Favored Glycine 0 C--O 1.226 -0.37 0 O-C-N 121.682 -0.636 . . . . 50.0 112.182 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -77.34 -29.4 53.44 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.27 -1.011 . . . . 50.0 108.27 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -40.33 77.27 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 109.966 -0.383 . . . . 50.0 109.966 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.33 -30.55 70.97 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.677 0.751 . . . . 50.0 111.049 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.45 24.77 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.382 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -62.86 151.62 38.59 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.424 0.631 . . . . 50.0 110.974 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -124.15 -48.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -86.99 87.07 7.37 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.103 -0.702 . . . . 50.0 109.103 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.54 -29.91 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.648 -0.706 . . . . 50.0 110.728 -177.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.13 -39.11 82.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.264 0.554 . . . . 50.0 109.982 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.96 -41.52 25.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.427 0.528 . . . . 25.0 112.427 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.79 -39.79 86.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.874 -0.788 . . . . 50.0 108.874 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -80.33 -28.25 38.19 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.158 -0.473 . . . . 50.0 111.207 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -58.3 -40.55 82.28 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.557 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.83 -42.55 86.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.313 -0.625 . . . . 50.0 109.313 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.2 mmt -67.08 -49.28 65.57 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 116.229 -0.442 . . . . 50.0 112.103 -176.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -36.39 81.38 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.576 -0.449 . . . . 50.0 110.524 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.93 -40.97 97.68 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.456 -0.498 . . . . 50.0 110.248 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.3 -24.61 50.92 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 119.069 -1.052 . . . . 50.0 109.891 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.18 -26.62 67.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.951 0.405 . . . . 25.0 111.92 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -104.07 -11.27 17.45 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.406 0.622 . . . . 50.0 110.973 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -111.83 15.55 20.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.717 -0.674 . . . . 50.0 110.128 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.56 -20.84 64.15 Favored Glycine 0 C--O 1.223 -0.586 0 N-CA-C 116.44 1.336 . . . . 25.0 116.44 -168.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -92.84 9.06 36.89 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.884 0.849 . . . . 25.0 110.783 -173.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.82 -165.75 34.42 Favored Glycine 0 N--CA 1.414 -2.767 1 N-CA-C 102.707 -4.157 . . . . 50.0 102.707 170.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -143.79 168.18 20.54 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 122.465 -0.432 . . . . 50.0 109.946 -175.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.41 162.2 33.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 108.802 -0.814 . . . . 50.0 108.802 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -113.43 -174.26 2.43 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.636 -1.616 . . . . 50.0 106.636 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -53.72 -46.8 70.93 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 113.169 0.803 . . . . 50.0 113.169 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -56.71 -47.68 79.39 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.633 0.651 . . . . 50.0 111.048 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.03 -43.36 74.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.353 1.073 . . . . 50.0 109.193 -173.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -58.8 -41.72 87.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.773 -1.103 . . . . 50.0 109.86 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 73.8 t -71.34 -36.66 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 122.189 -0.319 . . . . 50.0 111.087 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.75 -44.76 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 109.063 -0.717 . . . . 50.0 109.063 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.8 mt -72.89 -35.72 67.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.087 -0.506 . . . . 50.0 111.664 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.89 -43.68 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.152 -0.685 . . . . 50.0 109.152 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.98 84.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.118 -0.363 . . . . 25.0 110.634 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.47 -43.7 96.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.17 0.51 . . . . 25.0 110.449 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.63 -36.28 80.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.359 0.599 . . . . 50.0 109.561 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 79.2 m -61.43 -45.15 95.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.117 -0.492 . . . . 25.0 111.207 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.4 m -72.92 -28.27 26.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 O-C-N 120.861 -1.15 . . . . 50.0 111.575 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.52 -18.07 64.9 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 121.25 0.548 . . . . 25.0 110.907 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -107.59 -15.56 14.56 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.923 -1.11 . . . . 25.0 113.305 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -48.43 -20.95 0.47 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.536 1.68 . . . . 25.0 115.536 -177.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -54.36 -15.67 1.77 Allowed 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.296 1.221 . . . . 50.0 114.296 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -65.93 -16.46 63.88 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.399 -0.813 . . . . 75.0 111.348 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -105.41 17.82 23.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.071 0.462 . . . . 50.0 110.626 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -123.17 114.26 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.532 0.682 . . . . 50.0 109.647 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.78 89.28 7.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 50.0 110.292 -178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.288 -0.863 . . . . 25.0 110.254 175.732 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.002 0 CA-C-O 118.982 -0.899 . . . . 25.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -76.32 166.16 23.84 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.388 -0.967 . . . . 25.0 108.388 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.07 -33.87 76.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.354 0.597 . . . . 75.0 109.67 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tt -63.66 -41.71 98.16 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.772 0.796 . . . . 50.0 110.561 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.44 -38.2 84.16 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.449 -0.782 . . . . 50.0 110.785 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 5.6 p -72.99 -25.78 61.11 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.629 -0.428 . . . . 25.0 110.595 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.84 96.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.0 mmm -70.6 -31.44 68.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.263 0.468 . . . . 50.0 112.263 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.27 -26.9 64.04 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.4 -0.813 . . . . 50.0 109.805 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 34.0 m -63.11 -43.88 97.22 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.11 -37.5 85.32 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.13 -47.3 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 109.433 -0.58 . . . . 50.0 109.433 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -58.74 -48.06 82.5 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 121.176 -0.21 . . . . 75.0 110.952 -177.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.28 -46.45 96.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.932 0.396 . . . . 50.0 110.475 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -61.95 -47.83 83.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.434 0.635 . . . . 50.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -65.93 -26.84 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 50.0 112.478 -175.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.54 94.41 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.812 0.339 . . . . 25.0 111.208 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -88.38 -20.92 24.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.728 -0.214 . . . . 25.0 111.358 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -62.1 157.89 17.98 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.24 1.2 . . . . 25.0 114.24 -175.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.75 0.72 42.66 Favored Glycine 0 C--O 1.226 -0.349 0 CA-C-N 115.181 -0.918 . . . . 25.0 113.419 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -65.84 -44.99 83.89 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 112.373 0.509 . . . . 50.0 112.373 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -95.87 41.89 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 115.608 1.707 . . . . 50.0 115.608 -173.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.4 -30.95 2.99 Favored Glycine 0 C--N 1.31 -0.91 0 N-CA-C 115.606 1.003 . . . . 50.0 115.606 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -99.23 125.56 44.86 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.636 -1.246 . . . . 50.0 107.636 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -33.98 76.83 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 114.232 1.197 . . . . 25.0 114.232 -174.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -98.2 10.6 40.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 118.615 0.643 . . . . 50.0 111.278 -172.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -115.61 160.04 20.52 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-O 122.27 1.033 . . . . 50.0 108.34 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.88 133.43 35.77 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 113.22 -1.809 . . . . 50.0 106.489 174.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.74 153.03 44.31 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.614 -0.679 . . . . 50.0 110.69 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -64.44 -41.54 96.49 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 113.144 0.794 . . . . 50.0 113.144 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -32.07 73.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.948 1.249 . . . . 50.0 110.458 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -72.86 -29.39 63.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.318 -0.855 . . . . 50.0 109.717 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 14.9 tp -64.97 -30.49 71.48 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.858 -0.61 . . . . 50.0 111.559 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -62.83 -37.11 85.49 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 120.436 -0.506 . . . . 50.0 110.038 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.58 -45.13 88.35 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.672 . . . . 50.0 109.184 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.86 -46.67 88.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.02 -0.536 . . . . 50.0 109.955 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 64.5 mt -64.39 -29.08 70.15 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.417 0.627 . . . . 50.0 111.815 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -81.81 -17.74 46.46 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 123.472 0.709 . . . . 50.0 110.981 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -102.4 -59.19 1.74 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.737 -0.665 . . . . 25.0 112.363 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -86.03 -20.49 28.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.904 0.705 . . . . 50.0 112.904 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.5 tp -113.4 14.36 19.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.826 0.822 . . . . 50.0 109.211 176.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -49.93 -40.28 42.91 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 116.362 1.986 . . . . 50.0 116.362 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.42 -31.19 61.32 Favored Glycine 0 C--O 1.228 -0.244 0 O-C-N 121.155 -0.966 . . . . 50.0 111.247 -178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -70.1 -25.95 63.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.884 -0.774 . . . . 50.0 109.072 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.66 -39.75 36.02 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 122.558 0.343 . . . . 50.0 110.534 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.19 -32.2 73.76 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.944 0.878 . . . . 50.0 110.881 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.92 19.85 12.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.767 -0.651 . . . . 25.0 111.216 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -58.79 153.51 16.78 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 120.948 0.404 . . . . 50.0 111.584 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -130.13 -50.83 1.11 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.719 -0.474 . . . . 50.0 109.719 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -81.61 88.47 6.22 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.174 -1.047 . . . . 50.0 108.174 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.35 -27.99 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.999 0.428 . . . . 50.0 110.913 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.09 -40.03 71.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.393 0.616 . . . . 50.0 109.931 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.75 -37.28 49.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.244 -0.435 . . . . 25.0 111.735 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 p -65.96 -38.41 82.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.536 -0.913 . . . . 50.0 108.536 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -80.46 -27.38 37.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.009 -0.541 . . . . 50.0 111.073 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -35.29 68.72 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 175.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -76.8 -43.83 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.275 0.56 . . . . 50.0 110.041 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.8 mmt -68.63 -50.81 48.46 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 112.881 0.697 . . . . 50.0 112.881 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.27 -35.68 81.62 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.59 -0.444 . . . . 50.0 110.356 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -62.44 -43.5 98.67 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.583 -0.447 . . . . 50.0 110.469 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.9 -23.17 52.56 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 119.51 -0.876 . . . . 50.0 109.648 -178.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -63.93 -25.46 68.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.979 0.419 . . . . 25.0 110.966 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -101.66 -20.37 15.04 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.477 0.656 . . . . 50.0 110.826 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -103.73 14.34 31.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.899 -0.592 . . . . 50.0 110.652 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.42 -22.31 63.33 Favored Glycine 0 C--O 1.224 -0.491 0 N-CA-C 115.984 1.154 . . . . 25.0 115.984 -169.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -89.32 4.53 48.55 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.768 0.794 . . . . 25.0 110.166 -174.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.64 -160.87 36.61 Favored Glycine 0 N--CA 1.42 -2.369 0 N-CA-C 104.553 -3.419 . . . . 50.0 104.553 171.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -147.8 171.14 16.17 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 122.303 -0.528 . . . . 50.0 109.779 -177.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -138.8 165.06 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 107.933 -1.136 . . . . 50.0 107.933 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.96 -174.13 2.7 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 104.349 -2.463 . . . . 50.0 104.349 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -52.99 -47.28 68.35 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.183 0.808 . . . . 50.0 113.183 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -55.03 -48.78 72.94 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.103 0.411 . . . . 50.0 111.176 -177.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -69.33 -43.62 73.35 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.96 0.886 . . . . 50.0 109.844 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -39.77 86.14 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.128 -0.942 . . . . 50.0 110.124 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.61 -37.29 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 122.132 -0.355 . . . . 50.0 110.746 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.43 -43.61 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 121.082 0.468 . . . . 50.0 109.758 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 38.1 mt -70.29 -36.96 74.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.013 0.435 . . . . 50.0 111.179 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.09 -43.49 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 109.043 -0.725 . . . . 50.0 109.043 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.77 82.19 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.954 -0.466 . . . . 25.0 111.151 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.52 98.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.623 0.725 . . . . 25.0 110.103 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -33.48 72.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.465 0.65 . . . . 50.0 109.827 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.1 m -64.32 -44.88 90.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.215 -0.448 . . . . 25.0 110.894 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.23 -23.74 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.216 -0.927 . . . . 50.0 112.509 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.7 0.59 2.25 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 121.736 0.779 . . . . 25.0 111.282 172.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -66.79 -16.32 64.19 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.131 1.16 . . . . 25.0 114.131 -173.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -57.13 -21.24 30.93 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -56.88 -16.37 6.63 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.157 1.169 . . . . 50.0 114.157 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -66.82 -18.09 65.2 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.311 0.486 . . . . 50.0 112.311 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -101.49 23.32 11.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.15 0.5 . . . . 50.0 111.899 -175.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -136.1 146.85 47.45 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 103.254 -2.869 . . . . 50.0 103.254 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.48 78.22 6.02 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.911 -0.586 . . . . 50.0 110.671 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.408 -0.806 . . . . 25.0 110.12 176.219 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.126 0 N-CA-C 111.668 -0.573 . . . . 25.0 111.668 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -73.64 176.78 5.9 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 172.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.79 -42.41 99.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.0 0.429 . . . . 75.0 110.6 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tt -64.45 -41.84 96.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.839 0.828 . . . . 50.0 109.779 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.84 -36.4 82.24 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.345 -0.847 . . . . 50.0 112.014 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 p -71.76 -27.04 62.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.177 -0.609 . . . . 25.0 109.627 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.19 85.87 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 174.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.9 mmm -71.26 -32.23 68.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.224 0.824 . . . . 50.0 113.224 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -70.21 -25.3 63.34 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.251 -0.648 . . . . 50.0 109.251 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.0 m -66.51 -43.05 86.37 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 122.05 -0.406 . . . . 25.0 110.413 171.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.49 -35.72 76.61 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.961 -0.755 . . . . 50.0 108.961 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.62 -49.44 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 109.18 -0.674 . . . . 50.0 109.18 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -57.26 -50.18 73.7 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.208 0.527 . . . . 50.0 110.999 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.55 -0.75 . . . . 50.0 112.184 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.41 -48.54 80.74 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.737 -0.602 . . . . 50.0 110.546 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -71.75 -14.22 61.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.558 0.577 . . . . 50.0 112.558 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.83 62.33 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 122.114 -0.366 . . . . 25.0 110.286 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -83.25 -19.32 36.6 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.7 m -61.34 163.49 6.51 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.415 0.447 . . . . 25.0 111.705 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.46 16.15 53.5 Favored Glycine 0 C--O 1.229 -0.214 0 C-N-CA 120.383 -0.913 . . . . 25.0 114.672 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -69.51 -31.53 69.83 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 107.838 -1.171 . . . . 50.0 107.838 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.06 -3.6 47.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.241 -1.345 . . . . 50.0 111.743 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.93 -30.94 9.37 Favored Glycine 0 N--CA 1.469 0.855 0 CA-C-N 116.18 -0.464 . . . . 50.0 113.943 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -83.42 121.08 26.69 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 106.051 -1.833 . . . . 50.0 106.051 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -88.5 -8.15 55.33 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 113.429 0.9 . . . . 25.0 113.429 -168.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -105.7 10.26 32.86 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 107.889 -1.152 . . . . 50.0 107.889 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -135.61 158.59 43.99 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.628 -0.714 . . . . 50.0 109.527 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -147.71 137.19 22.51 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.098 0.249 . . . . 50.0 110.563 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.78 148.49 50.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.993 -0.442 . . . . 50.0 110.353 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -59.01 -43.08 91.48 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 114.282 1.215 . . . . 50.0 114.282 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -30.51 70.65 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.393 0.997 . . . . 50.0 110.282 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -77.78 -23.56 49.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.385 -0.825 . . . . 50.0 109.419 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 tp -70.95 -35.54 72.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.2 -0.454 . . . . 50.0 110.556 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -58.21 -34.51 70.48 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 120.886 -0.326 . . . . 50.0 110.455 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -60.34 -49.03 79.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.744 -0.465 . . . . 50.0 109.744 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.41 -46.99 85.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.506 0.67 . . . . 50.0 109.301 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.84 -31.88 73.21 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.783 -0.644 . . . . 50.0 111.889 -178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -81.81 -22.4 37.12 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 123.066 0.546 . . . . 50.0 110.929 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.2 m -89.75 -56.53 3.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.898 -0.592 . . . . 25.0 110.81 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -84.63 -42.05 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.096 0.406 . . . . 50.0 112.096 -176.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.84 13.13 21.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.163 0.506 . . . . 50.0 111.817 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.35 -35.21 5.2 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.915 1.45 . . . . 50.0 114.915 172.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.28 -35.11 57.09 Favored Glycine 0 C--O 1.228 -0.23 0 C-N-CA 120.588 -0.815 . . . . 50.0 112.268 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -71.33 -30.08 65.77 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.011 -1.107 . . . . 50.0 108.011 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.34 -42.27 75.54 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.275 -0.42 . . . . 50.0 110.199 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.46 -30.55 70.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.627 0.727 . . . . 50.0 111.128 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.05 28.67 6.54 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.799 -0.637 . . . . 25.0 111.071 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.52 152.67 37.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.118 0.485 . . . . 50.0 110.079 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -126.99 -50.5 1.45 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.114 -1.069 . . . . 50.0 108.114 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.91 88.59 5.3 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.903 -0.777 . . . . 50.0 108.903 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.09 -25.47 35.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.987 -0.551 . . . . 50.0 110.042 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.79 -40.76 69.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.583 -0.525 . . . . 50.0 109.583 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.12 -36.15 48.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.354 0.502 . . . . 25.0 112.354 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.16 -39.69 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 107.818 -1.179 . . . . 50.0 107.818 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -80.32 -28.81 38.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.953 -0.567 . . . . 50.0 111.521 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -33.86 65.64 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 177.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.0 t -82.74 -45.56 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.411 -0.516 . . . . 50.0 110.421 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.6 mmt -66.83 -50.24 63.21 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 112.94 0.718 . . . . 50.0 112.94 -174.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -36.64 84.78 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.849 -0.34 . . . . 50.0 110.3 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.49 -42.09 96.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.614 -0.266 . . . . 50.0 110.721 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.04 -25.78 48.0 Favored 'General case' 0 C--O 1.201 -1.481 0 C-N-CA 119.161 -1.016 . . . . 50.0 109.587 -176.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.02 -21.89 66.91 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.623 0.601 . . . . 25.0 112.623 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -96.57 -26.77 15.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.725 0.774 . . . . 50.0 109.8 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -98.85 15.13 26.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.343 -0.844 . . . . 50.0 110.908 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.29 -21.13 66.02 Favored Glycine 0 C--O 1.217 -0.945 0 N-CA-C 116.201 1.241 . . . . 25.0 116.201 -166.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -89.64 5.29 46.4 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.742 0.782 . . . . 25.0 110.714 -173.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.11 -156.26 30.33 Favored Glycine 0 N--CA 1.416 -2.636 0 N-CA-C 104.783 -3.327 . . . . 50.0 104.783 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.81 167.34 29.98 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 122.279 -0.542 . . . . 50.0 110.184 -173.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.74 170.4 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.885 -1.052 . . . . 50.0 109.532 -179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -124.38 -174.15 2.94 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.512 -1.662 . . . . 50.0 106.512 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -52.13 -48.91 64.62 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 113.371 0.878 . . . . 50.0 113.371 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -54.95 -47.43 74.51 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.705 0.684 . . . . 50.0 110.778 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -46.41 72.51 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 122.223 1.011 . . . . 50.0 108.855 -174.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -39.45 80.86 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.878 -1.055 . . . . 50.0 111.364 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.1 t -71.39 -36.98 63.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 121.182 -0.207 . . . . 50.0 110.679 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.5 -43.21 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.091 0.472 . . . . 50.0 109.84 177.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.1 mt -70.11 -36.25 74.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.102 0.477 . . . . 50.0 110.674 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.04 -44.18 99.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.018 -0.734 . . . . 50.0 109.018 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.0 82.47 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.024 -0.422 . . . . 25.0 111.553 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.2 99.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.348 0.594 . . . . 25.0 110.459 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -35.39 72.59 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.313 -0.555 . . . . 50.0 109.505 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.6 m -58.92 -45.44 90.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.156 -0.34 . . . . 25.0 110.902 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.0 m -73.84 -24.2 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 119.15 0.886 . . . . 50.0 113.068 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.5 -20.16 65.97 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -62.39 -22.56 66.24 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.522 1.129 . . . . 25.0 113.363 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -56.09 -17.13 6.22 Favored 'General case' 0 C--O 1.211 -0.948 0 N-CA-C 114.985 1.476 . . . . 25.0 114.985 173.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -42.28 -20.23 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.905 1.076 . . . . 50.0 113.905 168.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -55.73 -29.63 59.83 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.603 0.761 . . . . 75.0 112.686 172.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -106.4 22.7 15.35 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.333 0.653 . . . . 50.0 111.558 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.74 -177.9 4.83 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 106.437 -1.69 . . . . 50.0 106.437 -175.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -90.43 77.81 6.49 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 104.514 -2.402 . . . . 50.0 104.514 166.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.7 t . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 116.394 -1.765 . . . . 25.0 110.269 172.559 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.591 0 CA-C-O 119.626 -0.541 . . . . 25.0 111.828 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.9 p -70.05 178.57 2.68 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 172.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -60.21 -43.72 95.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.275 0.559 . . . . 75.0 110.669 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 tt -67.35 -41.82 84.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.522 0.677 . . . . 50.0 109.772 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.72 -34.36 77.67 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 121.263 -0.898 . . . . 50.0 111.149 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -71.55 -28.36 63.81 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.111 -0.636 . . . . 25.0 110.309 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.03 86.74 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 174.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.7 mmm -71.42 -33.51 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.364 0.876 . . . . 50.0 113.364 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.68 -28.45 66.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.747 -0.834 . . . . 50.0 108.747 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 59.5 m -64.08 -44.94 90.82 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 122.155 -0.34 . . . . 25.0 110.461 171.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.97 -36.78 77.87 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.959 -0.756 . . . . 50.0 108.959 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.43 -46.84 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 109.474 -0.565 . . . . 50.0 109.474 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.41 -45.81 87.69 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.371 0.605 . . . . 75.0 111.002 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -64.88 -44.89 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 116.081 -0.508 . . . . 50.0 111.138 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.42 -47.47 85.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.594 0.711 . . . . 50.0 110.205 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -63.25 -27.05 69.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.424 -0.807 . . . . 50.0 111.668 -176.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.1 75.03 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -86.18 -16.91 36.32 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 111.779 0.289 . . . . 25.0 111.779 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.0 m -60.33 156.79 14.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.163 0.506 . . . . 25.0 111.178 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.06 -7.49 37.89 Favored Glycine 0 C--O 1.223 -0.577 0 C-N-CA 120.885 -0.674 . . . . 25.0 113.151 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -63.19 -33.91 76.51 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.609 0.719 . . . . 50.0 109.405 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -72.17 -29.64 64.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.689 -1.142 . . . . 50.0 111.684 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.87 -30.83 5.56 Favored Glycine 0 C--N 1.322 -0.235 0 N-CA-C 109.57 -1.412 . . . . 50.0 109.57 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -93.04 135.72 33.95 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.498 -2.038 . . . . 50.0 105.498 171.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -87.13 -10.33 53.05 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -98.18 9.22 43.45 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.029 -1.1 . . . . 50.0 108.029 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -130.34 155.49 46.27 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.796 -0.638 . . . . 50.0 112.484 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -145.66 133.54 21.27 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 116.257 -0.429 . . . . 50.0 109.945 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 5.3 m -69.89 148.85 48.5 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.744 -0.598 . . . . 50.0 111.2 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -59.48 -48.79 80.31 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.612 1.338 . . . . 50.0 114.612 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -32.56 66.15 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 118.489 0.586 . . . . 50.0 112.211 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -77.61 -24.54 49.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.369 0.604 . . . . 50.0 110.33 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 tp -67.6 -30.67 70.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.813 -0.554 . . . . 50.0 110.448 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -61.85 -31.84 72.13 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 120.299 -0.56 . . . . 50.0 110.267 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -64.12 -47.43 79.99 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.098 -0.704 . . . . 50.0 109.098 177.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.09 -46.96 87.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.827 -0.805 . . . . 50.0 108.827 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.87 -31.84 72.96 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 115.59 -0.732 . . . . 50.0 111.743 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -81.67 -22.41 37.52 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.965 -0.459 . . . . 50.0 111.092 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 53.8 m -90.35 -52.4 4.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.877 -0.601 . . . . 25.0 111.892 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -92.36 -40.09 11.1 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.646 0.61 . . . . 50.0 112.646 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 tp -89.44 10.17 23.62 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.529 0.681 . . . . 50.0 109.738 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -39.44 30.47 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 115.458 1.651 . . . . 50.0 115.458 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.53 -30.67 61.84 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 120.557 -0.83 . . . . 50.0 111.282 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -73.63 -30.5 62.99 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.687 -0.89 . . . . 50.0 109.03 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.29 -38.99 82.21 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.655 -0.498 . . . . 50.0 109.655 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.68 -36.66 81.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.52 0.676 . . . . 50.0 111.3 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.09 39.94 1.55 Allowed 'General case' 0 C--O 1.247 0.941 0 CA-C-O 121.724 0.774 . . . . 25.0 109.708 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -71.75 162.02 30.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.917 -1.038 . . . . 50.0 108.3 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -131.09 -50.96 1.02 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.287 -0.635 . . . . 50.0 109.287 176.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -84.87 92.63 8.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.526 0.679 . . . . 50.0 109.873 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 29.0 m -66.0 -21.35 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.386 -0.825 . . . . 50.0 112.996 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.416 ' CG ' ' HZ2' ' B' ' 56' ' ' LYS . 25.3 t70 -81.59 -47.57 12.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.94 -0.763 . . . . 50.0 108.94 177.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.91 70.66 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.247 0.462 . . . . 25.0 112.247 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.19 -38.76 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 108.465 -0.939 . . . . 50.0 108.465 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.29 -28.4 57.0 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.302 -0.863 . . . . 50.0 111.263 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.416 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 13.7 mptt -59.61 -38.64 81.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.019 -0.426 . . . . 25.0 111.585 177.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 50.0 t -68.56 -40.84 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 122.277 1.037 . . . . 50.0 108.717 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.4 mmt -72.02 -46.53 56.77 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 115.138 -0.937 . . . . 50.0 111.829 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -36.0 82.48 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.143 -0.317 . . . . 50.0 110.143 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -59.48 -48.78 80.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.162 -0.681 . . . . 50.0 109.162 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.21 -20.55 48.0 Favored 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 118.685 -1.206 . . . . 50.0 110.488 -174.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.91 -26.91 68.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.037 0.446 . . . . 25.0 110.894 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -103.0 -25.35 13.48 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.472 0.653 . . . . 50.0 110.747 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -94.82 21.77 7.15 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.641 -0.874 . . . . 50.0 108.641 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.84 22.9 4.61 Favored Glycine 0 C--O 1.213 -1.209 0 CA-C-N 115.562 -0.744 . . . . 25.0 112.327 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -115.96 -1.91 12.43 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 122.527 -0.396 . . . . 25.0 110.246 167.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.47 -155.99 32.29 Favored Glycine 0 N--CA 1.433 -1.527 0 N-CA-C 109.551 -1.42 . . . . 50.0 109.551 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 11.8 pt-20 -155.46 163.52 39.92 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 113.809 -1.196 . . . . 50.0 110.175 -169.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 m -141.93 168.25 15.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 122.097 0.951 . . . . 50.0 110.851 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -120.58 -174.2 2.75 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 105.157 -2.164 . . . . 50.0 105.157 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.96 -46.71 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.496 0.924 . . . . 50.0 113.496 177.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -54.95 -46.85 75.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.975 0.352 . . . . 50.0 111.343 -177.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.54 -39.74 70.5 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.107 0.956 . . . . 50.0 108.98 -173.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -38.81 86.78 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.237 -0.892 . . . . 50.0 109.829 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 72.6 t -71.97 -36.22 56.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 121.173 -0.211 . . . . 50.0 110.561 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 75.3 t -57.73 -46.66 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 109.252 -0.647 . . . . 50.0 109.252 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 mt -69.29 -38.41 78.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 50.0 111.255 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.7 -43.86 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.735 -0.469 . . . . 50.0 109.735 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.49 -36.47 81.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.957 -0.464 . . . . 25.0 110.743 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.14 -41.23 97.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.278 0.561 . . . . 25.0 110.2 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 tt -68.58 -35.77 77.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.448 0.642 . . . . 50.0 109.488 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -64.46 -40.2 95.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.378 -0.373 . . . . 25.0 111.834 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 20.8 m -71.28 -23.84 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 120.783 -1.198 . . . . 50.0 112.343 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.26 0.24 4.01 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.412 0.625 . . . . 25.0 111.131 171.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -78.73 -15.45 58.43 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.472 -1.393 . . . . 25.0 109.094 177.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -55.47 -21.09 14.83 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.405 -0.816 . . . . 25.0 110.756 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -50.32 -31.63 14.95 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.511 1.124 . . . . 50.0 113.822 174.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -91.34 -11.77 36.94 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.515 -0.74 . . . . 50.0 112.048 -178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -104.95 7.66 34.26 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 122.805 0.442 . . . . 50.0 111.459 -174.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -153.36 174.22 14.61 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 101.527 -3.509 . . . . 50.0 101.527 -177.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -75.3 78.44 2.39 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 122.957 0.503 . . . . 50.0 110.705 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.254 1.326 0 N-CA-C 114.454 1.279 . . . . 25.0 114.454 176.663 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 CA-C-O 119.466 -0.63 . . . . 25.0 111.615 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.91 170.97 7.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 174.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.48 -39.52 84.0 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.339 0.59 . . . . 75.0 110.259 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.15 -32.99 73.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.925 0.869 . . . . 50.0 112.277 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -74.23 -34.95 63.82 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.009 -0.541 . . . . 50.0 110.346 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.9 p -72.8 -26.11 61.4 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.99 86.14 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 173.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.4 mmm -70.09 -33.05 71.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.173 0.805 . . . . 50.0 113.173 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -70.58 -25.4 63.05 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 120.026 -0.67 . . . . 50.0 109.563 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.4 m -65.13 -42.56 93.75 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.118 -0.364 . . . . 25.0 110.552 172.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.2 -35.87 76.38 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.898 -0.779 . . . . 50.0 108.898 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.58 -45.68 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.239 -0.652 . . . . 50.0 109.239 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -59.57 -48.82 80.15 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 122.126 -0.359 . . . . 50.0 110.747 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.76 -43.36 98.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.52 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -62.43 -49.13 76.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.128 0.489 . . . . 50.0 109.979 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -61.08 -30.47 70.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.855 -0.611 . . . . 50.0 112.176 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.08 75.4 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 111.738 0.273 . . . . 25.0 111.738 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -83.92 -19.32 34.91 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 111.697 0.258 . . . . 25.0 111.697 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.8 m -61.14 167.8 2.87 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.38 -5.82 65.36 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 120.984 -0.627 . . . . 25.0 112.157 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -63.12 -39.24 94.11 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 108.178 -1.045 . . . . 50.0 108.178 177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -96.84 41.65 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.711 1.375 . . . . 50.0 114.711 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.48 -30.96 3.01 Favored Glycine 0 C--N 1.306 -1.093 0 N-CA-C 117.329 1.692 . . . . 50.0 117.329 173.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -119.69 137.77 53.7 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 117.866 0.833 . . . . 50.0 109.246 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -78.9 -12.25 60.02 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 113.92 1.082 . . . . 25.0 113.92 -174.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -91.34 4.18 53.03 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.763 -0.829 . . . . 50.0 108.763 175.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -131.98 151.6 51.63 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.104 0.478 . . . . 50.0 111.899 -176.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -138.79 134.79 33.9 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 109.095 -0.705 . . . . 50.0 109.095 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.07 147.69 53.02 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 111.908 0.336 . . . . 50.0 111.908 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -63.13 -47.14 84.04 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.061 0.763 . . . . 50.0 113.061 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -29.02 66.43 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.407 0.549 . . . . 50.0 111.908 176.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -83.01 -23.76 33.15 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 121.554 0.693 . . . . 50.0 110.876 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.69 -32.8 74.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.129 0.49 . . . . 50.0 109.841 177.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.8 tttp -55.18 -38.71 68.7 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.751 -0.659 . . . . 50.0 110.983 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.3 -48.51 75.4 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.273 -0.639 . . . . 50.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.11 -45.74 90.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.65 0.738 . . . . 50.0 109.411 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.79 -30.61 71.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.563 -0.744 . . . . 50.0 111.976 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -81.78 -22.68 37.03 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 122.841 0.456 . . . . 50.0 111.736 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -93.88 -52.67 4.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.99 -0.55 . . . . 25.0 112.123 -174.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -91.28 -42.67 10.26 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.366 0.603 . . . . 50.0 112.011 -176.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -87.36 8.26 25.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.837 -0.619 . . . . 50.0 110.119 -178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.04 -37.04 8.71 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 116.239 1.94 . . . . 50.0 116.239 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.99 -36.8 56.9 Favored Glycine 0 C--O 1.224 -0.507 0 C-N-CA 120.141 -1.028 . . . . 50.0 111.209 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -71.8 -29.74 64.78 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.879 -0.786 . . . . 50.0 108.879 176.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.7 tp -68.83 -42.95 76.47 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 121.418 0.627 . . . . 50.0 109.803 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.2 -32.71 73.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.524 -0.762 . . . . 50.0 111.716 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.71 22.49 4.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.307 -0.406 . . . . 25.0 110.436 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.33 152.45 29.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.088 0.47 . . . . 50.0 110.189 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -135.04 -50.36 0.76 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.233 -0.654 . . . . 50.0 109.233 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.15 86.78 4.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.81 -1.182 . . . . 50.0 107.81 172.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.8 m -64.79 -25.2 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.745 -0.661 . . . . 50.0 110.538 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 34.3 t70 -68.24 -38.62 82.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.187 0.518 . . . . 50.0 110.501 178.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.2 -39.03 23.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 -176.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -65.57 -38.13 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.612 0.72 . . . . 50.0 109.394 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -78.9 -26.33 43.79 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.516 -0.765 . . . . 50.0 109.629 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 2.2 ttmm -60.97 -37.35 82.12 Favored 'General case' 0 C--O 1.215 -0.741 0 C-N-CA 120.84 -0.344 . . . . 25.0 111.442 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.73 -42.13 80.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 122.053 0.93 . . . . 50.0 108.842 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.7 mmt -70.49 -46.67 63.29 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.373 -0.83 . . . . 50.0 111.75 -176.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -35.37 80.62 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.428 -0.212 . . . . 50.0 110.428 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -60.24 -48.06 83.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.147 -0.686 . . . . 50.0 109.147 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.25 -20.18 48.81 Favored 'General case' 0 C--O 1.21 -0.982 0 C-N-CA 118.933 -1.107 . . . . 50.0 110.624 -174.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.04 -27.35 69.35 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.073 0.463 . . . . 25.0 110.747 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -103.56 -23.77 13.47 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.393 0.616 . . . . 50.0 110.955 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.431 ' C ' ' H ' ' A' ' 66' ' ' ASP . 52.4 m-80 -96.65 19.83 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.009 -0.541 . . . . 50.0 110.309 177.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.33 20.77 3.88 Favored Glycine 0 C--O 1.218 -0.883 0 CA-C-O 121.841 0.689 . . . . 25.0 112.636 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 64' ' ' ASN . 26.5 t70 -99.27 -29.89 12.55 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 174.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.62 -152.93 29.08 Favored Glycine 0 N--CA 1.438 -1.211 0 CA-C-O 123.295 1.497 . . . . 50.0 113.974 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.93 165.41 35.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 112.988 -1.606 . . . . 50.0 110.385 -171.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 m -134.95 173.12 14.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.278 -0.874 . . . . 50.0 110.492 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -121.41 -174.25 2.81 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 106.201 -1.777 . . . . 50.0 106.201 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -53.85 -49.08 69.25 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 113.703 1.001 . . . . 50.0 113.703 177.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -55.75 -45.05 78.11 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.102 0.41 . . . . 50.0 111.034 -176.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -44.26 71.48 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.123 0.963 . . . . 50.0 109.553 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -38.81 78.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.028 -0.987 . . . . 50.0 110.27 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.8 t -72.89 -36.16 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 122.223 -0.298 . . . . 50.0 110.921 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.6 t -58.4 -46.32 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.81 -36.98 76.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.84 -0.618 . . . . 50.0 110.923 -177.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.0 t -63.08 -44.8 99.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.562 -0.533 . . . . 50.0 109.562 175.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.61 88.12 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.051 -0.405 . . . . 25.0 110.554 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.06 95.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.412 0.625 . . . . 25.0 110.463 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.47 -37.34 82.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.451 0.643 . . . . 50.0 109.586 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.2 m -62.46 -43.61 98.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.169 -0.469 . . . . 25.0 111.733 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.5 m -70.63 -23.97 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 120.706 -1.246 . . . . 50.0 112.183 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.95 -26.71 68.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.235 0.541 . . . . 25.0 110.717 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -95.83 -15.49 22.46 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.642 -1.286 . . . . 25.0 109.185 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -46.59 -26.56 0.92 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.181 0.992 . . . . 25.0 113.353 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.68 -16.4 1.63 Allowed 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.874 1.064 . . . . 50.0 113.874 174.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.21 -23.33 67.38 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 121.043 -1.035 . . . . 75.0 112.476 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -110.71 -7.6 14.64 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.777 0.658 . . . . 50.0 112.777 -173.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -155.97 128.78 7.91 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.33 -0.85 . . . . 50.0 109.847 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.57 78.87 3.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.629 0.728 . . . . 50.0 110.301 -179.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.244 0.806 0 CA-C-O 116.124 -1.894 . . . . 25.0 106.999 177.736 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.482 0 CA-C-O 119.406 -0.663 . . . . 25.0 111.934 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.99 -179.45 0.73 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 117.431 0.616 . . . . 25.0 111.018 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.46 -46.01 91.85 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.414 0.626 . . . . 75.0 110.486 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.98 -40.65 91.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.035 0.921 . . . . 50.0 109.723 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -68.16 -35.03 77.42 Favored 'General case' 0 C--N 1.315 -0.914 0 O-C-N 121.458 -0.776 . . . . 50.0 111.939 -176.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.5 p -73.84 -31.15 63.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 176.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.8 -48.02 82.75 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 172.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mmm -72.23 -29.74 64.24 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.482 0.919 . . . . 50.0 113.482 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -72.82 -24.42 60.9 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.363 -0.835 . . . . 50.0 109.526 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -63.51 -44.46 94.26 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 170.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.2 -38.6 89.76 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.061 -0.718 . . . . 50.0 109.061 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.68 -48.31 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.698 -0.482 . . . . 50.0 109.698 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -58.15 -49.6 76.42 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.776 0.322 . . . . 75.0 110.583 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -67.41 -42.82 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-N 115.602 -0.726 . . . . 50.0 111.968 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.423 ' HB2' ' CE2' ' B' ' 74' ' ' TYR . 83.3 t80 -59.36 -51.23 70.79 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.586 -0.696 . . . . 50.0 110.38 178.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -71.34 -14.67 62.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.788 0.662 . . . . 50.0 112.788 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.85 54.84 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 175.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -78.96 -24.67 43.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.662 -0.244 . . . . 25.0 111.449 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -59.97 158.35 11.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.334 0.588 . . . . 25.0 111.613 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.57 2.06 61.8 Favored Glycine 0 C--O 1.222 -0.599 0 C-N-CA 120.817 -0.706 . . . . 25.0 114.212 -178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -59.4 -40.28 86.11 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.667 0.746 . . . . 50.0 109.179 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -77.43 -25.73 50.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.55 -1.205 . . . . 50.0 113.099 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.69 -30.87 4.1 Favored Glycine 0 CA--C 1.52 0.346 0 CA-C-N 115.592 -0.731 . . . . 50.0 113.96 -175.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -92.65 118.09 30.67 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.646 -1.612 . . . . 50.0 106.646 172.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -70.19 -15.34 62.93 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 115.563 1.69 . . . . 25.0 115.563 -172.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -102.34 7.47 40.53 Favored 'General case' 0 C--N 1.31 -1.138 0 C-N-CA 120.42 -0.512 . . . . 50.0 110.393 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -120.58 154.22 35.7 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 123.584 0.754 . . . . 50.0 110.542 174.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.0 tp -132.43 129.71 39.64 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 107.094 -1.447 . . . . 50.0 107.094 173.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.29 146.42 54.4 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.714 -0.847 . . . . 50.0 108.714 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.0 -40.49 89.42 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 113.786 1.032 . . . . 50.0 113.786 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -29.55 70.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.633 1.106 . . . . 50.0 109.928 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.56 -23.71 39.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.616 0.722 . . . . 50.0 110.217 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.12 -35.31 80.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.214 0.531 . . . . 50.0 109.908 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -61.26 -33.92 74.33 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 116.028 -0.533 . . . . 50.0 110.369 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -63.05 -48.5 78.43 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.102 -0.703 . . . . 50.0 109.102 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.86 -46.6 87.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.42 0.628 . . . . 50.0 109.386 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.32 -32.11 72.82 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.859 -0.609 . . . . 50.0 112.162 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.95 -22.34 36.73 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.498 0.719 . . . . 50.0 110.847 -178.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 55.7 m -91.9 -60.62 1.82 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.922 -0.581 . . . . 25.0 111.084 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -81.37 -42.63 20.19 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.054 0.454 . . . . 50.0 111.999 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.95 13.72 17.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.154 0.502 . . . . 50.0 111.957 -177.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.12 -35.56 11.71 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.709 1.374 . . . . 50.0 114.709 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.19 -33.17 59.49 Favored Glycine 0 C--O 1.227 -0.284 0 C-N-CA 120.532 -0.842 . . . . 50.0 112.106 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -71.01 -31.74 68.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.207 -1.035 . . . . 50.0 108.207 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -69.24 -41.48 76.93 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 110.075 -0.342 . . . . 50.0 110.075 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.06 -31.46 72.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.607 0.718 . . . . 50.0 111.284 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.17 27.64 7.03 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 115.924 -0.58 . . . . 25.0 110.914 -176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -63.91 152.65 39.26 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -124.51 -49.52 1.78 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.384 -0.969 . . . . 50.0 108.384 174.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -82.09 87.8 6.47 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.299 -0.63 . . . . 50.0 109.299 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.7 m -63.92 -24.01 34.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 115.666 -0.697 . . . . 50.0 110.801 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.41 ' CG ' ' HZ2' ' B' ' 56' ' ' LYS . 18.7 t70 -76.2 -40.29 52.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.52 -0.309 . . . . 50.0 110.773 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.5 -35.93 53.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 p -63.34 -38.56 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 107.861 -1.163 . . . . 50.0 107.861 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -77.23 -29.59 54.16 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.275 -0.875 . . . . 50.0 111.261 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.41 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -62.03 -26.43 68.24 Favored 'General case' 0 C--O 1.21 -1.014 0 C-N-CA 121.137 -0.225 . . . . 25.0 111.467 178.236 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 66.1 t -85.47 -45.42 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.573 0.701 . . . . 50.0 109.724 175.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 mmt -68.05 -53.4 25.93 Favored 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 113.592 0.96 . . . . 50.0 113.592 -173.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -35.58 80.93 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.784 -0.45 . . . . 50.0 109.784 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -60.71 -46.16 91.47 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.555 -0.458 . . . . 50.0 109.926 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.74 -22.66 49.95 Favored 'General case' 0 C--O 1.207 -1.134 0 C-N-CA 119.029 -1.069 . . . . 50.0 110.857 -177.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.57 -26.79 67.2 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 111.81 0.3 . . . . 25.0 111.81 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -106.11 -21.47 13.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.546 0.688 . . . . 50.0 111.488 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -96.53 15.87 20.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.657 0.742 . . . . 50.0 109.564 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.75 -19.96 65.76 Favored Glycine 0 C--O 1.217 -0.919 0 N-CA-C 115.341 0.896 . . . . 25.0 115.341 -170.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.0 6.74 43.56 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.929 0.871 . . . . 25.0 110.748 -171.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.15 -156.61 32.9 Favored Glycine 0 N--CA 1.418 -2.545 0 N-CA-C 104.376 -3.489 . . . . 50.0 104.376 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -149.6 169.42 21.01 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 122.044 -0.68 . . . . 50.0 109.694 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.9 166.02 23.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.956 -1.02 . . . . 50.0 108.838 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -118.71 -174.09 2.62 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.632 -1.988 . . . . 50.0 105.632 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -53.98 -46.28 71.63 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.817 0.673 . . . . 50.0 112.817 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -55.48 -46.43 76.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 118.172 0.442 . . . . 50.0 111.69 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.29 -46.44 64.3 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.92 -1.141 . . . . 50.0 107.92 -174.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 0.7 OUTLIER -57.41 -40.55 78.53 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.459 -1.246 . . . . 50.0 111.38 -176.09 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.23 -37.57 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 122.39 -0.194 . . . . 50.0 110.722 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.49 -43.62 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.466 -0.568 . . . . 50.0 109.466 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.7 -37.3 76.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.886 0.374 . . . . 50.0 110.912 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -63.56 -42.28 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 109.405 -0.591 . . . . 50.0 109.405 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.83 -35.31 76.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.904 -0.497 . . . . 25.0 111.916 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.56 97.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.293 0.568 . . . . 25.0 109.607 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -36.4 77.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.358 0.599 . . . . 50.0 109.59 177.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 47.9 m -60.25 -44.86 94.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.184 -0.462 . . . . 25.0 110.818 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.41 -23.9 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 121.253 -0.904 . . . . 50.0 112.587 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.37 -21.71 66.24 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.866 0.841 . . . . 25.0 109.472 173.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -68.25 -16.66 64.05 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.541 1.312 . . . . 25.0 114.541 -175.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -54.61 -20.06 7.27 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 115.254 1.576 . . . . 25.0 115.254 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -43.8 -15.92 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 114.354 1.242 . . . . 50.0 114.354 171.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -54.36 -28.92 46.26 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.115 0.566 . . . . 50.0 111.999 173.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -107.36 21.48 17.43 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.066 0.395 . . . . 50.0 112.066 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -114.29 111.7 21.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.767 0.794 . . . . 50.0 109.633 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.36 78.44 9.28 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.955 -1.128 . . . . 50.0 107.955 177.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.358 -0.83 . . . . 25.0 110.115 178.134 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.89 0 CA-C-O 118.817 -0.99 . . . . 25.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m -69.89 170.57 10.89 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 175.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -62.44 -39.66 94.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.135 0.493 . . . . 75.0 109.76 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tt -65.16 -41.77 94.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.568 0.699 . . . . 50.0 111.022 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -63.98 -37.96 89.33 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.631 -0.668 . . . . 50.0 111.115 -176.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -77.64 -27.86 51.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.262 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.61 96.18 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.436 -0.949 . . . . 25.0 108.436 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -71.54 -31.8 67.42 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.954 0.724 . . . . 50.0 112.954 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.21 -28.02 66.0 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.137 -0.69 . . . . 50.0 109.137 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -64.35 -43.05 95.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.82 0.343 . . . . 25.0 110.335 173.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.07 -33.64 73.64 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.639 -0.504 . . . . 50.0 109.639 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.49 -45.28 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 109.404 -0.591 . . . . 50.0 109.404 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -58.5 -46.61 86.34 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.489 0.661 . . . . 50.0 110.408 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.92 -42.67 92.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.24 -0.891 . . . . 50.0 111.592 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.24 -43.98 95.62 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.553 -0.717 . . . . 50.0 109.35 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -66.02 -17.55 64.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.092 0.775 . . . . 50.0 113.092 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.48 -49.3 67.06 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.822 -0.549 . . . . 25.0 111.252 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -94.59 -11.78 28.75 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.1 p -62.94 165.19 7.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.137 0.494 . . . . 25.0 111.021 -178.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.43 -7.71 61.88 Favored Glycine 0 C--O 1.221 -0.718 0 C-N-CA 120.052 -1.071 . . . . 25.0 113.56 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -25.27 66.78 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 117.416 0.608 . . . . 50.0 109.496 175.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -77.37 -29.34 53.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.748 0.785 . . . . 50.0 111.108 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.67 -30.95 5.18 Favored Glycine 0 C--O 1.229 -0.21 0 N-CA-C 110.755 -0.938 . . . . 50.0 110.755 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -98.41 143.39 28.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.176 -1.416 . . . . 50.0 107.176 173.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -91.38 -9.34 45.14 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 115.476 1.658 . . . . 25.0 115.476 -170.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -105.86 16.44 25.18 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 107.159 -1.423 . . . . 50.0 107.159 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -133.77 158.68 42.73 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.626 -1.17 . . . . 50.0 110.642 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 tp -153.81 136.05 14.87 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 109.281 -0.637 . . . . 50.0 109.281 177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.46 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 4.3 m -67.31 149.92 49.7 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.853 -0.529 . . . . 50.0 111.381 179.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -58.96 -51.67 69.07 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.827 1.047 . . . . 50.0 113.827 -175.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -28.94 61.88 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.917 0.71 . . . . 50.0 112.917 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -79.37 -23.51 43.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.974 0.416 . . . . 50.0 110.631 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.0 tp -69.91 -25.63 63.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.863 -0.523 . . . . 50.0 110.734 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -56.09 -40.78 74.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.112 0.482 . . . . 50.0 109.749 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.41 -46.51 82.93 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.865 -0.607 . . . . 50.0 110.04 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.62 -47.07 87.03 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.936 -0.764 . . . . 50.0 108.936 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.28 -30.57 71.22 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 116.072 -0.513 . . . . 50.0 111.611 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -82.18 -22.15 36.15 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 122.082 -0.386 . . . . 50.0 111.865 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.1 m -94.64 -50.58 5.11 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.767 -176.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -98.18 -19.4 17.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.275 0.843 . . . . 50.0 113.275 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.0 tp -112.26 12.44 20.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.443 -0.947 . . . . 50.0 108.443 176.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.02 -44.01 9.68 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 116.898 2.184 . . . . 50.0 116.898 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.52 -30.9 59.48 Favored Glycine 0 C--O 1.225 -0.455 0 O-C-N 121.402 -0.811 . . . . 50.0 111.68 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -73.28 -23.63 60.33 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.112 -0.699 . . . . 50.0 109.112 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -78.56 -38.9 39.19 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 123.051 0.54 . . . . 50.0 110.275 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.45 -30.59 70.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.558 0.694 . . . . 50.0 111.176 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.98 21.91 7.14 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.972 -0.558 . . . . 25.0 110.928 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.89 152.57 27.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.319 . . . . 50.0 110.693 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -133.9 -54.58 0.87 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.508 -0.314 . . . . 50.0 110.197 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -78.19 90.79 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.725 -1.213 . . . . 50.0 107.725 171.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.76 -26.65 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.182 0.515 . . . . 50.0 110.462 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.47 -39.24 77.84 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.253 0.549 . . . . 50.0 109.656 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.62 -36.24 38.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.916 -175.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.59 -38.68 82.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 108.601 -0.889 . . . . 50.0 108.601 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -80.64 -24.84 38.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.031 -0.532 . . . . 50.0 110.883 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -31.45 65.22 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 109.57 -0.53 . . . . 25.0 109.57 174.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.2 t -82.06 -44.84 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.367 0.604 . . . . 50.0 110.19 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.5 mmt -68.54 -51.99 36.85 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 113.224 0.824 . . . . 50.0 113.224 -174.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -36.33 83.36 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.958 -0.386 . . . . 50.0 109.958 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -61.3 -43.69 98.45 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.628 -0.429 . . . . 50.0 110.701 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -23.09 48.55 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 119.214 -0.994 . . . . 50.0 109.797 -177.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.94 -26.04 67.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.178 0.513 . . . . 25.0 110.421 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -97.93 -25.8 14.87 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.716 0.77 . . . . 50.0 110.122 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' ' 66' ' ' ASP . 41.3 m-80 -95.26 19.23 10.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.572 -0.74 . . . . 50.0 109.336 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.44 25.2 1.37 Allowed Glycine 0 C--O 1.22 -0.754 0 CA-C-N 115.904 -0.589 . . . . 25.0 114.348 -176.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 64' ' ' ASN . 9.4 t0 -115.86 -13.88 11.33 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.772 0.32 . . . . 25.0 110.542 172.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.92 -154.48 29.7 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-O 122.868 1.26 . . . . 50.0 111.735 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 11.3 pt-20 -152.9 165.01 36.8 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 113.815 -1.193 . . . . 50.0 110.447 -170.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 m -142.58 167.86 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 123.876 0.735 . . . . 50.0 110.758 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -120.98 -174.18 2.77 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 106.006 -1.85 . . . . 50.0 106.006 174.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -53.35 -48.12 68.81 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.56 0.948 . . . . 50.0 113.56 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.35 -45.92 76.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.168 0.44 . . . . 50.0 110.853 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.42 -42.12 75.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.122 0.963 . . . . 50.0 109.965 -175.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.96 -39.52 89.86 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.223 -0.898 . . . . 50.0 110.031 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 81.0 t -71.29 -35.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 122.284 -0.26 . . . . 50.0 110.853 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.96 -44.88 87.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.424 -0.584 . . . . 50.0 109.424 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.4 mt -70.8 -36.25 72.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.346 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 t -63.88 -44.11 97.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.789 -0.449 . . . . 50.0 109.789 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.24 85.16 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.901 -0.5 . . . . 25.0 110.48 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.47 99.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.377 0.608 . . . . 25.0 110.488 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.95 -36.23 79.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.423 0.63 . . . . 50.0 109.828 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.5 m -62.27 -48.31 80.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.211 -0.449 . . . . 25.0 111.123 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.416 ' C ' ' H ' ' A' ' 85' ' ' SNC . 27.2 m -67.35 -18.87 24.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 N-CA-C 113.79 1.033 . . . . 50.0 113.79 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.85 0.3 0.38 Allowed 'General case' 0 CA--C 1.55 0.956 0 CA-C-O 121.292 0.568 . . . . 25.0 112.194 171.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . 0.416 ' H ' ' C ' ' A' ' 83' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -67.41 -15.55 63.74 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.057 -1.027 . . . . 25.0 113.193 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.0 -22.11 5.29 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -17.99 24.32 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.551 0.574 . . . . 50.0 112.551 175.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -73.27 -20.67 60.78 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.093 0.405 . . . . 75.0 112.093 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -118.25 -11.84 10.03 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 114.356 1.243 . . . . 50.0 114.356 -173.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -159.17 148.17 18.38 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 105.922 -1.881 . . . . 50.0 105.922 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -86.0 78.4 9.46 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.166 -0.679 . . . . 50.0 109.166 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 C--O 1.247 0.957 0 CA-C-O 116.808 -1.568 . . . . 25.0 109.54 -179.507 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 CA-C-O 119.304 -0.72 . . . . 25.0 111.484 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 64.7 p -71.51 174.49 6.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 173.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -61.56 -39.12 89.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.118 0.485 . . . . 75.0 110.594 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tt -67.13 -42.39 84.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.674 0.75 . . . . 50.0 109.942 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -66.05 -35.55 80.85 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 121.715 -0.616 . . . . 50.0 110.993 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -74.65 -26.98 60.23 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.259 -0.576 . . . . 25.0 110.907 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.03 94.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 175.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.8 mmm -71.06 -33.93 70.72 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.705 0.631 . . . . 50.0 112.705 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.12 -29.24 68.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.878 0.763 . . . . 50.0 109.038 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -64.08 -44.26 92.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.777 0.322 . . . . 25.0 110.489 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.4 -36.54 78.34 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.608 -0.516 . . . . 50.0 109.608 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.56 -46.1 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.287 -0.634 . . . . 50.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.52 -45.05 89.65 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.159 0.504 . . . . 75.0 110.905 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.64 -44.49 93.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 115.084 -0.962 . . . . 50.0 110.666 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -59.7 -46.8 87.97 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.765 -0.585 . . . . 50.0 109.779 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -66.57 -21.55 66.15 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 112.718 0.636 . . . . 50.0 112.718 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.96 89.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.669 0.271 . . . . 25.0 110.62 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -102.38 -14.62 16.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.894 0.701 . . . . 25.0 112.894 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.6 p -63.46 167.68 5.27 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 -173.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.69 25.87 61.95 Favored Glycine 0 CA--C 1.505 -0.536 0 N-CA-C 115.04 0.776 . . . . 25.0 115.04 175.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.53 -31.67 70.04 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 107.337 -1.357 . . . . 50.0 107.337 174.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -89.36 -2.45 58.43 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 114.187 -1.37 . . . . 50.0 111.713 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.24 -30.86 9.06 Favored Glycine 0 N--CA 1.459 0.171 0 CA-C-N 115.992 -0.549 . . . . 50.0 114.339 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -83.48 119.15 24.32 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 107.519 -1.289 . . . . 50.0 107.519 176.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -83.0 -8.75 59.53 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.049 1.129 . . . . 25.0 114.049 -171.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -95.75 6.05 49.86 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.343 -1.355 . . . . 50.0 107.343 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -128.65 159.76 34.56 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.851 -0.613 . . . . 50.0 111.553 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.65 135.78 20.13 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 106.773 -1.566 . . . . 50.0 106.773 174.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -65.17 146.14 55.36 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.816 -0.553 . . . . 50.0 109.783 -179.685 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -58.52 -43.37 89.13 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.203 0.816 . . . . 50.0 113.203 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.76 -29.79 70.35 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.841 0.746 . . . . 50.0 111.116 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -78.55 -25.85 45.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.711 -0.677 . . . . 50.0 109.818 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.59 -30.83 71.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.987 -0.446 . . . . 50.0 110.504 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -61.08 -31.3 70.97 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 120.837 -0.345 . . . . 50.0 110.846 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -63.58 -48.54 76.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.286 -0.635 . . . . 50.0 109.286 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.2 -46.01 92.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.89 -0.782 . . . . 50.0 108.89 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.2 -30.72 71.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.262 0.554 . . . . 50.0 111.822 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -81.92 -22.33 36.82 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 122.94 0.496 . . . . 50.0 111.47 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 43.2 m -97.64 -56.71 2.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.847 -0.615 . . . . 25.0 112.523 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -90.15 -18.17 26.29 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.136 0.791 . . . . 50.0 113.136 -174.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 tp -113.81 11.69 18.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.453 0.644 . . . . 50.0 109.446 176.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.09 -38.82 18.53 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.078 1.51 . . . . 50.0 115.078 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.51 -28.89 72.93 Favored Glycine 0 C--O 1.224 -0.494 0 C-N-CA 120.79 -0.719 . . . . 50.0 112.553 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -79.5 -28.33 41.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.696 -0.884 . . . . 50.0 108.764 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.4 mt -69.39 -39.33 78.06 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.289 -0.634 . . . . 50.0 109.289 175.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -67.37 -33.96 76.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.612 0.72 . . . . 50.0 111.406 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.73 24.74 7.96 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.062 -0.517 . . . . 25.0 111.173 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -62.2 152.38 33.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.928 0.394 . . . . 50.0 110.156 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -128.41 -48.3 1.3 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.196 -0.668 . . . . 50.0 109.196 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -82.22 87.44 6.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.959 -0.756 . . . . 50.0 108.959 175.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.53 -24.7 36.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 CA-C-N 115.687 -0.688 . . . . 50.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.425 ' CG ' ' HZ3' ' B' ' 56' ' ' LYS . 32.7 t70 -74.21 -41.89 60.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.095 0.474 . . . . 50.0 111.23 178.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.55 -37.17 37.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.452 -0.34 . . . . 25.0 111.679 -176.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 p -64.88 -37.65 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.935 -0.765 . . . . 50.0 108.935 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -79.31 -29.44 42.38 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.776 -0.647 . . . . 50.0 110.212 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.425 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP . 30.5 mttp -60.88 -40.77 94.23 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 120.752 -0.379 . . . . 25.0 111.528 176.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -67.0 -41.12 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.387 -0.968 . . . . 50.0 108.387 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.4 mmt -69.29 -46.79 66.33 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 115.561 -0.745 . . . . 50.0 112.188 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.98 -36.44 82.18 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 121.363 -0.135 . . . . 50.0 110.668 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -61.28 -44.46 97.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.235 -0.654 . . . . 50.0 109.235 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.03 -21.92 50.01 Favored 'General case' 0 C--O 1.205 -1.284 0 C-N-CA 119.327 -0.949 . . . . 50.0 110.148 -177.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -63.53 -26.28 68.63 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.884 -0.51 . . . . 25.0 111.268 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -101.03 -25.53 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.47 0.653 . . . . 50.0 110.794 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -97.19 9.06 43.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.771 -0.65 . . . . 50.0 111.281 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.89 -24.49 62.7 Favored Glycine 0 C--O 1.217 -0.923 0 N-CA-C 116.63 1.412 . . . . 25.0 116.63 -167.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.67 3.14 48.98 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.676 0.75 . . . . 25.0 110.448 -171.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.52 -156.4 31.83 Favored Glycine 0 N--CA 1.421 -2.35 0 N-CA-C 105.72 -2.952 . . . . 50.0 105.72 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -150.97 165.19 34.47 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.055 0.455 . . . . 50.0 110.375 -173.6 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.79 167.48 23.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.334 -0.848 . . . . 50.0 108.972 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -119.82 -174.15 2.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 105.979 -1.86 . . . . 50.0 105.979 174.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.09 -47.55 68.48 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 113.423 0.897 . . . . 50.0 113.423 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -55.21 -47.12 75.77 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.294 0.497 . . . . 50.0 110.77 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.81 -44.47 73.45 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-O 122.076 0.941 . . . . 50.0 109.05 -174.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -40.78 81.43 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.939 -1.028 . . . . 50.0 110.421 -178.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.1 t -71.41 -36.33 60.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 122.238 -0.289 . . . . 50.0 110.95 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.96 -44.65 95.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.593 -0.521 . . . . 50.0 109.593 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.4 mt -69.4 -37.4 77.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.128 0.49 . . . . 50.0 110.831 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.1 t -62.53 -44.09 99.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.304 -0.628 . . . . 50.0 109.304 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.37 82.96 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.06 -0.4 . . . . 25.0 111.287 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.73 97.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.298 0.571 . . . . 25.0 110.1 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.25 -35.85 78.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.426 0.632 . . . . 50.0 109.64 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 76.3 m -61.81 -44.94 95.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.081 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 28.6 m -71.15 -26.98 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 120.878 -1.139 . . . . 50.0 111.693 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.7 -23.23 66.09 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.569 0.7 . . . . 25.0 110.831 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -101.27 -15.34 17.32 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.963 -1.086 . . . . 25.0 111.985 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -51.06 -20.91 1.58 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -46.22 -25.29 0.59 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.231 1.197 . . . . 50.0 114.231 171.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -68.33 -27.53 66.36 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.341 0.867 . . . . 50.0 113.341 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -107.62 -19.13 13.65 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 113.196 0.813 . . . . 50.0 113.196 -175.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -135.52 111.4 9.44 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.417 -1.265 . . . . 50.0 108.156 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -87.73 77.9 8.54 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.487 0.661 . . . . 50.0 111.416 -172.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 C--O 1.245 0.851 0 CA-C-N 115.029 -0.987 . . . . 25.0 112.255 179.769 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.964 0 N-CA-C 111.75 -0.54 . . . . 25.0 111.75 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -72.37 179.41 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.042 0.421 . . . . 25.0 110.613 176.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.28 -41.5 97.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.975 0.417 . . . . 75.0 110.617 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.3 -41.85 93.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.27 0.557 . . . . 50.0 110.189 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.26 -40.7 98.14 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.623 -0.673 . . . . 50.0 110.82 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.9 p -71.7 -27.81 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.449 -0.5 . . . . 25.0 110.64 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.48 95.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -72.78 -32.03 65.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.585 0.957 . . . . 50.0 113.585 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.77 -26.6 65.3 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.05 -0.722 . . . . 50.0 109.05 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.1 m -64.74 -43.3 93.8 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.573 -0.285 . . . . 25.0 110.634 172.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.4 -36.31 77.83 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.991 -0.744 . . . . 50.0 108.991 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.51 -45.4 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 109.535 -0.543 . . . . 50.0 109.535 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.73 -49.41 77.73 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.068 0.461 . . . . 50.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.2 -44.24 98.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.664 -0.698 . . . . 50.0 111.794 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.51 -48.39 79.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.764 -0.585 . . . . 50.0 110.263 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -62.6 -29.49 70.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.922 -0.581 . . . . 50.0 111.835 -177.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.88 93.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.112 0.412 . . . . 25.0 112.112 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -93.73 -19.38 21.13 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -61.75 155.49 22.78 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.58 14.46 43.88 Favored Glycine 0 C--O 1.227 -0.333 0 N-CA-C 114.855 0.702 . . . . 25.0 114.855 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -67.78 -33.86 75.66 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.45 -0.945 . . . . 50.0 108.45 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -86.25 -6.1 59.04 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.444 -1.253 . . . . 50.0 112.908 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.41 -29.99 10.94 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-O 119.304 -0.72 . . . . 50.0 114.163 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -82.31 117.36 22.33 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.05 -1.463 . . . . 50.0 107.05 175.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -70.51 -17.63 62.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.087 -0.961 . . . . 25.0 113.269 -169.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -102.37 7.19 40.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.844 0.354 . . . . 50.0 110.602 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -126.78 156.85 40.58 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 110.173 -0.306 . . . . 50.0 110.173 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -141.28 130.41 23.39 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.6 -0.889 . . . . 50.0 108.6 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.2 m -68.21 145.96 53.82 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 122.099 -0.376 . . . . 50.0 110.087 -177.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -57.49 -46.82 83.3 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.173 1.175 . . . . 50.0 114.173 -174.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -31.35 68.88 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.467 0.576 . . . . 50.0 112.211 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -80.31 -24.67 39.78 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 121.202 0.525 . . . . 50.0 110.406 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 tp -66.52 -30.64 71.0 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.779 -0.576 . . . . 50.0 109.887 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -60.8 -31.67 71.05 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 120.727 -0.389 . . . . 50.0 110.276 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.09 -48.98 76.28 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.195 -0.669 . . . . 50.0 109.195 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.9 -46.61 88.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.729 0.776 . . . . 50.0 109.185 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.3 -31.27 72.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.431 -0.804 . . . . 50.0 111.77 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -81.84 -22.33 37.06 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.104 0.562 . . . . 50.0 111.678 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.6 m -94.79 -55.85 2.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.887 -0.597 . . . . 25.0 112.426 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -87.61 -44.62 11.09 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.363 0.601 . . . . 50.0 111.592 -176.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 tp -86.46 9.32 18.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.5 0.667 . . . . 50.0 110.321 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -38.75 23.49 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 115.308 1.596 . . . . 50.0 115.308 176.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.02 -40.16 84.16 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.345 -0.931 . . . . 50.0 111.043 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -68.16 -29.04 67.83 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 122.025 -0.691 . . . . 50.0 109.384 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.13 -42.58 69.02 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 109.484 -0.562 . . . . 50.0 109.484 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.01 -32.32 70.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.614 0.721 . . . . 50.0 111.402 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.51 20.25 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.174 -0.466 . . . . 25.0 109.796 -176.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.25 152.35 25.08 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.068 -0.345 . . . . 50.0 110.068 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -138.17 -47.26 0.53 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.333 -0.617 . . . . 50.0 109.333 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' HB2' ' HA ' ' A' ' 84' ' ' ALA . 15.9 m-20 -82.39 79.56 8.81 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.376 -1.342 . . . . 50.0 107.376 175.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.0 m -63.19 -24.46 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.243 -0.889 . . . . 50.0 111.512 -174.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.439 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 32.0 t70 -65.81 -37.97 87.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.292 0.567 . . . . 50.0 110.275 177.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.88 -40.44 22.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.82 -0.627 . . . . 25.0 112.589 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.4 p -65.29 -37.97 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.584 0.707 . . . . 50.0 109.541 -175.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -77.71 -28.79 50.99 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.387 -0.824 . . . . 50.0 110.728 -175.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 31.8 mttp -60.96 -37.42 82.32 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 122.006 -0.434 . . . . 25.0 111.708 177.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.3 -42.24 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 122.188 0.994 . . . . 50.0 108.798 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.1 mmt -70.33 -48.41 56.62 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.148 -0.933 . . . . 50.0 111.859 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -35.66 81.7 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.473 -0.195 . . . . 50.0 110.473 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -60.33 -48.53 81.34 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.153 -0.684 . . . . 50.0 109.153 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.87 -19.68 51.35 Favored 'General case' 0 C--O 1.207 -1.136 0 C-N-CA 119.073 -1.051 . . . . 50.0 110.561 -174.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.61 -28.23 69.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.168 0.508 . . . . 25.0 110.935 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -104.1 -23.45 13.29 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.366 0.603 . . . . 50.0 110.973 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -95.8 18.58 12.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.917 0.865 . . . . 50.0 109.444 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.73 24.97 3.05 Favored Glycine 0 C--O 1.212 -1.244 0 CA-C-N 115.362 -0.836 . . . . 25.0 112.961 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -115.78 -4.17 12.16 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 122.68 -0.306 . . . . 25.0 111.608 168.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.09 -158.1 32.75 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 109.247 -1.541 . . . . 50.0 109.247 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 14.1 pt-20 -151.69 159.51 43.97 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 113.459 -1.371 . . . . 50.0 110.087 -174.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.4 m -133.95 173.2 15.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.529 -0.76 . . . . 50.0 110.381 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -124.26 -174.36 2.99 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 105.731 -1.952 . . . . 50.0 105.731 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -52.8 -48.12 67.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.697 0.999 . . . . 50.0 113.697 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -55.25 -45.64 76.06 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.173 0.442 . . . . 50.0 111.426 -177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -40.67 69.26 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 122.079 0.942 . . . . 50.0 110.005 -175.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -38.84 83.68 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.304 -0.862 . . . . 50.0 109.85 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.1 t -71.79 -36.23 57.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 121.215 -0.194 . . . . 50.0 110.725 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.16 -46.56 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 109.219 -0.66 . . . . 50.0 109.219 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.12 -36.16 74.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.892 -0.594 . . . . 50.0 111.05 -177.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.2 t -63.48 -45.23 98.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.741 -0.466 . . . . 50.0 109.741 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.59 90.9 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.092 -0.38 . . . . 25.0 110.124 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.42 97.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.289 0.566 . . . . 25.0 111.033 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 tt -70.92 -35.72 72.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.226 0.536 . . . . 50.0 109.811 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.3 m -61.56 -48.91 78.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.99 -0.444 . . . . 25.0 111.127 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.5 m -62.11 -23.78 32.73 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 N-CA-C 113.581 0.956 . . . . 50.0 113.581 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 50' ' ' ASP . . . -58.01 -4.43 0.33 Allowed 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 113.805 1.039 . . . . 25.0 113.805 172.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -66.29 -15.81 63.52 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.535 1.309 . . . . 25.0 114.535 -172.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -53.23 -20.94 4.59 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.609 0.966 . . . . 25.0 113.609 177.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -50.83 -20.74 1.38 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.322 1.23 . . . . 50.0 114.322 178.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -54.35 -37.21 64.67 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.265 0.555 . . . . 75.0 110.326 173.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -110.61 -0.87 17.07 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.982 -0.553 . . . . 50.0 112.123 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -127.9 103.39 7.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.441 1.115 . . . . 50.0 110.652 -176.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -94.53 101.37 13.26 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.776 -1.102 . . . . 50.0 108.757 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.246 0.878 0 N-CA-C 106.681 -1.6 . . . . 25.0 106.681 178.768 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.575 0 CA-C-O 119.233 -0.759 . . . . 25.0 111.865 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.52 175.89 1.65 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 117.63 0.715 . . . . 25.0 109.242 172.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.05 -43.29 95.49 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.392 0.615 . . . . 75.0 111.56 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -65.54 -40.66 93.13 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 122.008 0.908 . . . . 50.0 109.14 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -67.88 -35.54 78.69 Favored 'General case' 0 C--N 1.313 -0.988 0 O-C-N 121.509 -0.744 . . . . 50.0 111.36 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 p -71.73 -27.98 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.503 -0.479 . . . . 25.0 109.881 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.1 82.22 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 174.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.6 mmm -70.93 -33.47 70.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.89 0.7 . . . . 50.0 112.89 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -69.47 -27.3 65.11 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.104 -0.702 . . . . 50.0 109.104 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.8 m -65.49 -44.05 88.28 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 110.05 -0.352 . . . . 25.0 110.05 171.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.38 -36.36 77.89 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.392 -0.595 . . . . 50.0 109.392 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.89 -47.94 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 109.67 -0.493 . . . . 50.0 109.67 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.28 -48.5 80.26 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.379 0.609 . . . . 75.0 110.721 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.29 -43.59 98.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.431 -0.804 . . . . 50.0 111.744 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -61.66 -46.77 88.33 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.593 -0.692 . . . . 50.0 109.527 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -61.95 -25.36 67.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.461 -0.791 . . . . 50.0 112.775 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.14 99.36 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.373 0.509 . . . . 25.0 112.373 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -95.51 -21.53 18.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.791 0.329 . . . . 25.0 111.269 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.6 t -59.76 150.07 29.09 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.211 0.605 . . . . 25.0 112.139 -176.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.2 18.53 28.64 Favored Glycine 0 C--O 1.228 -0.281 0 N-CA-C 115.907 1.123 . . . . 25.0 115.907 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -67.73 -36.35 80.43 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.114 0.957 . . . . 50.0 109.687 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -88.11 -11.24 47.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.057 -0.974 . . . . 50.0 113.245 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.01 -30.0 6.28 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 115.884 1.114 . . . . 50.0 115.884 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -83.17 120.15 25.43 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 106.013 -1.847 . . . . 50.0 106.013 174.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -68.32 -19.21 64.65 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.441 0.904 . . . . 25.0 113.441 -167.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -109.09 15.16 23.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.63 0.233 . . . . 50.0 111.63 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -125.16 151.87 45.22 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.891 -0.781 . . . . 50.0 108.891 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -142.32 135.73 28.99 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.684 -1.228 . . . . 50.0 107.684 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.95 150.94 47.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.166 -0.679 . . . . 50.0 109.166 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -59.96 -42.97 95.27 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 113.257 0.836 . . . . 50.0 113.257 -176.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -29.39 69.95 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.29 0.95 . . . . 50.0 110.405 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.03 -24.02 47.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.479 -0.782 . . . . 50.0 109.479 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 22.7 tp -70.02 -36.7 75.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.898 -0.501 . . . . 50.0 109.794 175.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -58.78 -33.34 70.21 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 116.485 -0.325 . . . . 50.0 110.42 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.56 -47.87 83.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.396 -0.594 . . . . 50.0 109.396 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.58 -45.41 94.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.353 0.597 . . . . 50.0 109.423 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mp -64.19 -30.08 71.16 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 121.455 0.645 . . . . 50.0 111.295 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -81.54 -22.69 37.72 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.993 -0.442 . . . . 50.0 111.032 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 41.3 m -93.72 -61.63 1.51 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.638 -0.71 . . . . 25.0 111.622 -177.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -83.19 -44.65 14.8 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.412 0.625 . . . . 50.0 111.796 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 tp -83.79 9.94 10.72 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.057 0.456 . . . . 50.0 110.041 -178.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -50.03 -39.59 42.23 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.137 1.162 . . . . 50.0 114.137 175.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.5 -31.56 74.0 Favored Glycine 0 C--O 1.225 -0.429 0 C-N-CA 119.991 -1.1 . . . . 50.0 111.84 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -78.26 -22.37 48.46 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.865 -0.785 . . . . 50.0 110.087 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.34 -39.16 48.58 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 109.664 -0.495 . . . . 50.0 109.664 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.99 -32.62 73.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.816 0.817 . . . . 50.0 111.795 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.56 12.72 17.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 25.0 111.099 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.72 151.4 14.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.198 0.523 . . . . 50.0 112.343 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -133.48 -44.34 0.83 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.437 -0.579 . . . . 50.0 109.437 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -81.13 88.56 5.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.486 0.66 . . . . 50.0 109.824 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.1 m -67.24 -22.8 29.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.585 -0.734 . . . . 50.0 111.607 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.448 ' CG ' ' HZ2' ' B' ' 56' ' ' LYS . 36.7 t70 -77.98 -44.28 27.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.132 0.491 . . . . 50.0 110.107 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.44 -39.29 62.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.506 -0.316 . . . . 25.0 111.803 -177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.68 -38.62 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.316 -0.624 . . . . 50.0 109.316 -177.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -80.13 -30.33 39.01 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 116.07 -0.514 . . . . 50.0 110.904 -175.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.448 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 27.7 mttp -58.37 -42.04 86.12 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.484 -0.325 . . . . 25.0 111.724 177.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.57 -40.18 81.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.975 0.893 . . . . 50.0 108.659 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.8 mmt -69.36 -49.56 54.44 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 115.537 -0.756 . . . . 50.0 112.148 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -36.43 83.79 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.976 -0.29 . . . . 50.0 110.441 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.01 -45.4 94.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.467 -0.568 . . . . 50.0 109.467 177.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.26 -22.37 48.42 Favored 'General case' 0 C--O 1.206 -1.187 0 C-N-CA 119.006 -1.078 . . . . 50.0 110.806 -176.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.24 -27.14 68.23 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.087 -0.383 . . . . 25.0 111.659 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -104.7 -22.62 13.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.475 0.655 . . . . 50.0 111.071 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -96.36 14.43 24.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.53 0.681 . . . . 50.0 109.358 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.65 -22.19 63.71 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 115.391 0.917 . . . . 25.0 115.391 -170.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.33 4.43 50.81 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.723 0.773 . . . . 25.0 110.45 -174.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.87 -156.3 31.27 Favored Glycine 0 N--CA 1.419 -2.485 0 N-CA-C 103.825 -3.71 . . . . 50.0 103.825 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -153.36 169.34 23.34 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.861 -0.788 . . . . 50.0 110.401 -173.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.37 170.64 15.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.012 -0.995 . . . . 50.0 109.806 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.05 -174.29 3.22 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 104.955 -2.239 . . . . 50.0 104.955 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -53.11 -48.11 68.08 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 113.094 0.775 . . . . 50.0 113.094 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -54.93 -45.03 74.78 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.289 0.495 . . . . 50.0 111.135 -177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.73 -49.12 61.41 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.425 1.107 . . . . 50.0 108.756 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -39.98 77.1 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.466 -1.243 . . . . 50.0 111.21 -175.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.2 t -70.66 -37.18 68.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.647 0.261 . . . . 50.0 110.855 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.83 -43.72 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.166 0.508 . . . . 50.0 109.783 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.8 mt -69.13 -37.0 78.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.337 0.589 . . . . 50.0 110.494 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 10.9 t -62.76 -43.09 98.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.228 -0.656 . . . . 50.0 109.228 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.78 82.65 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.001 -0.437 . . . . 25.0 111.362 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.64 97.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.621 0.724 . . . . 25.0 109.776 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.66 -33.24 70.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.42 0.629 . . . . 50.0 110.155 177.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -63.92 -44.82 91.78 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.112 -0.367 . . . . 25.0 111.273 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.62 -23.64 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.673 -0.642 . . . . 50.0 111.881 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.86 0.62 1.7 Allowed 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 121.477 0.656 . . . . 25.0 112.078 171.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -86.95 -13.99 43.08 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.559 1.944 . . . . 25.0 110.177 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -48.71 -20.92 0.52 Allowed 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 114.261 -1.336 . . . . 25.0 114.547 -174.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -56.68 -22.89 38.1 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.176 0.806 . . . . 50.0 113.176 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -67.42 -33.3 74.89 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.05 -0.407 . . . . 50.0 111.076 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -102.48 -14.71 16.72 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 121.902 0.858 . . . . 50.0 113.262 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -133.4 103.34 5.91 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.378 -1.283 . . . . 50.0 108.447 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -87.35 88.91 7.81 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.625 -0.716 . . . . 50.0 110.503 -174.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.248 1.013 0 CA-C-O 117.014 -1.47 . . . . 25.0 107.58 179.27 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.491 0 CA-C-O 119.471 -0.627 . . . . 25.0 111.913 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.32 -179.44 0.8 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 117.399 0.599 . . . . 25.0 110.808 174.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -61.75 -46.49 89.4 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.393 0.616 . . . . 75.0 110.704 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.47 -39.92 94.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.875 0.845 . . . . 50.0 109.761 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -69.84 -36.07 75.27 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.846 -0.534 . . . . 50.0 112.258 -176.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 p -73.73 -29.66 62.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.15 87.29 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.1 mmm -70.57 -32.71 70.21 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.689 0.996 . . . . 50.0 113.689 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.45 -25.54 63.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.115 -0.698 . . . . 50.0 109.115 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -64.72 -42.4 95.26 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.118 -0.364 . . . . 25.0 110.159 170.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.25 -35.06 77.8 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 109.094 -0.706 . . . . 50.0 109.094 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.8 mt -67.17 -47.18 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.202 -0.666 . . . . 50.0 109.202 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.82 -51.16 70.72 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.26 0.552 . . . . 50.0 111.258 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.92 -34.42 64.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 CA-C-N 115.73 -0.668 . . . . 50.0 111.957 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.95 -43.08 99.76 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 120.989 -1.069 . . . . 50.0 109.665 171.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -66.93 -16.68 64.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.772 0.656 . . . . 50.0 112.772 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.87 79.06 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 121.191 -0.204 . . . . 25.0 111.189 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -102.82 -20.38 14.34 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.6 p -62.03 147.28 47.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.17 0.509 . . . . 25.0 109.751 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.55 -7.37 57.89 Favored Glycine 0 CA--C 1.508 -0.369 0 C-N-CA 120.518 -0.849 . . . . 25.0 111.852 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.55 -31.93 68.42 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.691 -0.485 . . . . 50.0 109.691 175.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -110.8 41.79 1.73 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 123.209 1.48 . . . . 50.0 114.864 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.44 -30.21 3.11 Favored Glycine 0 C--N 1.306 -1.121 0 N-CA-C 118.418 2.127 . . . . 50.0 118.418 171.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -103.52 123.17 46.42 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 108.062 -1.088 . . . . 50.0 108.062 176.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -70.98 -17.98 62.63 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -170.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -106.21 8.04 31.8 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 122.176 -0.327 . . . . 50.0 110.672 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.38 163.57 25.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.252 -0.431 . . . . 50.0 110.175 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.95 137.82 23.85 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 110.023 -0.362 . . . . 50.0 110.023 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.1 152.76 42.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.26 -0.275 . . . . 50.0 111.117 177.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -66.1 -43.4 87.38 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.913 0.708 . . . . 50.0 112.913 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -30.47 71.04 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.063 0.847 . . . . 50.0 109.654 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -77.24 -23.49 51.29 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.123 -0.944 . . . . 50.0 110.276 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.0 tp -75.24 -31.27 60.77 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 121.67 -0.644 . . . . 50.0 110.536 175.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -58.17 -35.5 71.65 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 120.059 -0.656 . . . . 50.0 109.894 176.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.9 -49.24 78.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.782 -0.451 . . . . 50.0 109.782 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.02 -44.75 96.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.464 0.649 . . . . 50.0 109.71 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.83 -30.58 71.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.845 -0.616 . . . . 50.0 111.974 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.59 -22.2 37.89 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 122.874 0.47 . . . . 50.0 111.118 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.5 m -95.22 -51.7 4.5 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 -175.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -91.68 -45.2 8.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.194 0.521 . . . . 50.0 112.138 -176.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.1 tp -85.49 8.7 18.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.824 0.821 . . . . 50.0 109.286 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.34 -39.14 21.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.657 1.725 . . . . 50.0 115.657 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.5 -38.6 79.51 Favored Glycine 0 N--CA 1.458 0.16 0 C-N-CA 120.371 -0.918 . . . . 50.0 110.97 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -69.38 -32.21 71.1 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.93 -0.767 . . . . 50.0 108.93 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -69.12 -44.12 73.04 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.724 0.64 . . . . 50.0 109.952 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.17 -32.85 74.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.733 0.777 . . . . 50.0 111.544 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.35 29.76 3.46 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 115.838 -0.619 . . . . 25.0 109.588 -176.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -62.88 155.81 26.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.32 -0.622 . . . . 50.0 109.32 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -132.28 -49.24 0.92 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.636 0.732 . . . . 50.0 109.265 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.418 ' HB2' ' HA ' ' A' ' 84' ' ' ALA . 22.6 m-20 -85.91 87.68 7.45 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.04 -0.982 . . . . 50.0 108.919 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -62.07 -27.92 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.917 -0.583 . . . . 50.0 111.627 -175.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.26 -37.56 83.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.521 0.677 . . . . 50.0 109.494 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.17 -27.98 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.837 0.68 . . . . 25.0 112.837 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.78 -39.61 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 108.612 -0.884 . . . . 50.0 108.612 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -80.26 -21.45 42.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.034 0.445 . . . . 50.0 111.564 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -53.52 -31.28 45.48 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.499 -0.773 . . . . 25.0 109.746 170.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.79 -48.31 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.278 0.561 . . . . 50.0 111.469 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.0 mmt -66.92 -53.65 29.89 Favored 'General case' 0 CA--C 1.487 -1.451 0 N-CA-C 112.824 0.676 . . . . 50.0 112.824 -172.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -34.78 78.54 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.477 -0.489 . . . . 50.0 109.94 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.31 -50.87 72.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.467 -0.568 . . . . 50.0 109.467 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.41 -19.66 45.7 Favored 'General case' 0 C--O 1.211 -0.94 0 C-N-CA 119.437 -0.905 . . . . 50.0 111.544 -173.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.38 -29.19 67.53 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.941 0.401 . . . . 25.0 111.471 -178.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -108.11 -22.28 12.45 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.257 0.551 . . . . 50.0 111.814 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -96.51 15.43 21.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.775 0.797 . . . . 50.0 109.87 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.6 -19.36 62.55 Favored Glycine 0 C--O 1.22 -0.762 0 N-CA-C 115.872 1.109 . . . . 25.0 115.872 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -92.05 5.4 50.36 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.722 0.773 . . . . 25.0 110.482 -171.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.32 -160.26 36.25 Favored Glycine 0 N--CA 1.417 -2.628 0 N-CA-C 103.627 -3.789 . . . . 50.0 103.627 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.41 163.26 40.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.09 -0.555 . . . . 50.0 109.854 -172.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -142.11 169.94 12.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.201 -0.908 . . . . 50.0 109.446 -175.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.61 -174.23 2.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.382 -1.71 . . . . 50.0 106.382 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -52.56 -47.54 66.73 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 113.341 0.867 . . . . 50.0 113.341 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -54.69 -47.02 74.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.497 0.59 . . . . 50.0 111.004 -178.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -79.62 -31.73 41.66 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-O 121.558 0.694 . . . . 50.0 109.9 -171.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -41.47 90.6 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.493 -0.929 . . . . 50.0 108.493 175.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.1 t -71.34 -36.83 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.815 -0.175 . . . . 50.0 110.659 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -57.43 -44.99 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.183 -0.673 . . . . 50.0 109.183 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.0 mt -70.29 -37.74 74.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.707 0.289 . . . . 50.0 111.2 -178.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.86 -45.71 98.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.922 -0.399 . . . . 50.0 109.922 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.82 -36.77 80.96 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.002 -0.437 . . . . 25.0 110.612 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.71 92.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.253 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -71.27 -37.79 71.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.325 -0.621 . . . . 50.0 109.325 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.0 m -59.83 -41.7 91.93 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 112.293 0.479 . . . . 25.0 112.293 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . 0.303 27.5 m -67.58 -17.02 21.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 N-CA-C 114.462 1.282 . . . . 50.0 114.462 175.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 50' ' ' ASP . . . -64.45 -5.45 5.37 Favored 'General case' 0 CA--C 1.56 1.357 0 O-C-N 120.333 -1.479 . . . . 25.0 109.369 172.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -65.8 -33.05 74.96 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.8 -1.188 . . . . 25.0 111.257 -175.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -27.94 64.58 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.117 0.484 . . . . 25.0 111.794 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -62.88 -15.74 56.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.309 0.855 . . . . 50.0 113.309 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -91.3 -7.0 52.28 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.685 -0.634 . . . . 75.0 111.053 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -109.45 -19.27 13.31 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-O 122.142 0.972 . . . . 50.0 111.015 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -152.45 130.19 11.61 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.311 -1.768 . . . . 50.0 108.105 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -94.77 78.45 3.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.316 0.579 . . . . 50.0 111.2 -176.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.1 m . . . . . 0 C--O 1.243 0.745 0 CA-C-O 117.148 -1.406 . . . . 25.0 108.547 178.379 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 119.408 -0.662 . . . . 25.0 111.698 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.84 175.53 2.41 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 117.378 0.589 . . . . 25.0 109.562 173.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.3 -44.58 95.29 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.799 0.727 . . . . 75.0 111.6 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.02 -39.54 93.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.81 0.815 . . . . 50.0 109.507 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -68.79 -37.94 79.64 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.806 -0.559 . . . . 50.0 111.727 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.3 p -71.3 -28.54 64.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.57 81.82 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.5 mmm -70.45 -31.85 69.18 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.309 0.855 . . . . 50.0 113.309 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.21 -24.87 62.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.16 -0.682 . . . . 50.0 109.16 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.7 m -66.54 -42.24 87.48 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.1 -35.53 78.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.575 -0.898 . . . . 50.0 108.575 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.8 -47.51 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.362 -0.607 . . . . 50.0 109.362 177.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -58.45 -51.67 68.87 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.121 0.486 . . . . 75.0 111.403 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.56 -33.08 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.821 -0.627 . . . . 50.0 112.094 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -62.96 -45.0 94.51 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.186 -0.946 . . . . 50.0 109.097 171.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -66.42 -18.79 65.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.993 0.738 . . . . 50.0 112.993 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.67 80.01 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 122.319 -0.238 . . . . 25.0 110.895 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -101.72 -19.01 15.56 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.6 p -65.83 152.96 43.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 25.0 109.869 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.48 -7.36 42.81 Favored Glycine 0 C--O 1.223 -0.553 0 C-N-CA 120.878 -0.677 . . . . 25.0 112.935 -175.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -60.37 -34.57 74.08 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.615 -0.883 . . . . 50.0 108.615 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -71.23 -29.85 65.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.375 -1.284 . . . . 50.0 113.172 -176.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.02 -30.74 6.17 Favored Glycine 0 C--N 1.322 -0.204 0 N-CA-C 109.414 -1.475 . . . . 50.0 109.414 -174.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -90.74 127.27 36.26 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 104.692 -2.336 . . . . 50.0 104.692 171.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -72.7 -21.82 61.0 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 -170.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -104.5 14.13 30.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.074 0.464 . . . . 50.0 110.413 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -122.88 155.03 37.5 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.564 -0.744 . . . . 50.0 110.044 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.69 130.08 27.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 106.725 -1.583 . . . . 50.0 106.725 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -66.19 150.05 49.37 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.423 -0.584 . . . . 50.0 109.423 -178.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -64.31 -41.63 96.73 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 113.644 0.979 . . . . 50.0 113.644 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -29.11 70.19 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.758 -1.214 . . . . 50.0 109.729 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -81.33 -23.68 37.63 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.683 0.754 . . . . 50.0 109.83 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.13 -36.48 79.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.082 -0.71 . . . . 50.0 109.082 173.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -60.33 -35.2 75.09 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 120.412 -0.515 . . . . 50.0 110.208 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.53 -48.84 79.21 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.081 -0.711 . . . . 50.0 109.081 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.41 -46.2 89.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.616 0.722 . . . . 50.0 109.717 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.95 -31.32 72.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.668 -0.696 . . . . 50.0 112.072 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -81.75 -22.67 37.13 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 123.57 0.748 . . . . 50.0 111.001 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 58.5 m -94.36 -51.61 4.71 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -93.14 -45.28 7.96 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.301 0.572 . . . . 50.0 112.21 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.7 tp -84.23 8.37 16.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.855 0.836 . . . . 50.0 109.525 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -35.43 16.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 115.486 1.661 . . . . 50.0 115.486 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.8 -40.4 75.48 Favored Glycine 0 C--O 1.229 -0.19 0 C-N-CA 120.195 -1.002 . . . . 50.0 111.096 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -70.36 -31.41 68.66 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.977 -0.749 . . . . 50.0 108.977 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 26.1 tp -68.25 -45.17 73.94 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 123.232 0.613 . . . . 50.0 111.098 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.14 -35.57 81.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.499 -0.773 . . . . 50.0 111.025 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.8 30.23 3.08 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 116.012 -0.54 . . . . 25.0 109.994 -176.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.23 156.07 26.48 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.731 -0.47 . . . . 50.0 109.731 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -136.86 -52.69 0.69 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.61 0.243 . . . . 50.0 111.038 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -79.83 86.42 5.38 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.834 -1.173 . . . . 50.0 107.834 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.15 -27.96 44.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.848 -174.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.79 -36.04 79.74 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.203 -0.666 . . . . 50.0 109.203 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.89 -31.53 31.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.586 0.588 . . . . 25.0 112.586 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.24 -41.59 66.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.335 -0.617 . . . . 50.0 109.335 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -80.01 -22.12 42.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.938 0.399 . . . . 50.0 111.469 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -53.18 -33.64 53.49 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.855 -0.611 . . . . 25.0 109.899 171.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 50.6 t -88.01 -47.52 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.485 0.66 . . . . 50.0 111.317 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.3 mmt -69.34 -51.35 37.84 Favored 'General case' 0 CA--C 1.488 -1.414 0 N-CA-C 113.056 0.762 . . . . 50.0 113.056 -172.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -35.27 79.05 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.58 -0.448 . . . . 50.0 109.921 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -59.36 -50.51 73.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.296 -0.631 . . . . 50.0 109.296 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.15 -20.59 48.14 Favored 'General case' 0 C--O 1.208 -1.12 0 C-N-CA 119.221 -0.992 . . . . 50.0 111.083 -173.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.36 -28.3 68.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.981 0.42 . . . . 25.0 111.456 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -106.99 -22.44 12.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.463 0.649 . . . . 50.0 111.513 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -96.22 17.13 16.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.793 0.806 . . . . 50.0 109.538 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.39 -19.92 64.93 Favored Glycine 0 C--O 1.215 -1.048 0 N-CA-C 115.309 0.884 . . . . 25.0 115.309 -170.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -91.08 6.31 45.43 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.569 0.7 . . . . 25.0 110.605 -170.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.63 -158.18 34.16 Favored Glycine 0 N--CA 1.418 -2.544 0 N-CA-C 104.439 -3.464 . . . . 50.0 104.439 173.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.413 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 2.9 pp20? -151.07 163.96 37.56 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.047 -0.723 . . . . 50.0 109.047 -174.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 m -140.78 164.52 21.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 123.78 0.675 . . . . 50.0 109.381 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -114.62 -174.13 2.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.728 -1.582 . . . . 50.0 106.728 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -52.48 -48.26 66.02 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 112.846 0.684 . . . . 50.0 112.846 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -53.96 -48.35 70.41 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 118.442 0.565 . . . . 50.0 110.492 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -74.22 -40.96 62.09 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.382 0.611 . . . . 50.0 109.44 -171.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.07 -41.35 74.98 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.803 -0.635 . . . . 50.0 109.958 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.91 -38.16 63.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 122.11 -0.369 . . . . 50.0 111.14 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.89 -43.52 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.246 -0.65 . . . . 50.0 109.246 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.59 -35.53 73.06 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.878 0.37 . . . . 50.0 111.111 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -64.05 -44.21 97.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 109.621 -0.511 . . . . 50.0 109.621 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.53 79.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.873 -0.517 . . . . 25.0 110.852 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.18 86.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.112 0.482 . . . . 25.0 110.625 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 tt -72.91 -35.47 67.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.323 0.583 . . . . 50.0 109.945 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.8 m -63.14 -43.79 97.36 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.297 -0.41 . . . . 25.0 111.274 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 24.6 m -66.24 -23.82 32.49 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 N-CA-C 112.92 0.711 . . . . 50.0 112.92 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.55 -5.4 1.2 Allowed 'General case' 0 CA--C 1.548 0.88 0 CA-C-O 121.73 0.776 . . . . 25.0 112.396 172.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -15.8 59.29 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.647 -1.283 . . . . 25.0 111.69 -178.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -43.24 -34.07 1.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 115.178 1.547 . . . . 25.0 115.178 -175.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -56.53 -20.85 22.53 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 114.464 1.283 . . . . 50.0 114.464 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -67.62 -23.87 65.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 112.024 0.379 . . . . 50.0 112.024 175.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -124.05 -21.19 5.12 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 115.784 1.772 . . . . 50.0 115.784 -174.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -161.44 131.55 4.93 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.498 -1.228 . . . . 50.0 109.374 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.83 77.97 4.78 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.396 -0.815 . . . . 50.0 109.459 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.248 0.976 0 CA-C-O 117.935 -1.031 . . . . 25.0 111.277 177.749 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.561 0 CA-C-O 119.05 -0.861 . . . . 25.0 111.533 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -65.79 177.3 1.31 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.35 0.575 . . . . 25.0 110.636 174.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.45 -45.11 95.65 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.24 0.543 . . . . 75.0 110.699 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.45 -41.34 89.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.548 0.689 . . . . 50.0 110.178 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -64.53 -36.51 84.44 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.605 -0.684 . . . . 50.0 111.384 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -75.41 -28.65 59.49 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.596 -0.441 . . . . 25.0 110.256 177.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.9 99.81 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 173.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.7 mmm -72.74 -33.69 66.54 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.721 1.008 . . . . 50.0 113.721 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.7 -28.06 67.35 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.834 -0.802 . . . . 50.0 108.834 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.0 m -64.22 -43.0 96.31 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.421 -0.354 . . . . 25.0 111.207 173.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.76 -37.89 83.38 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.449 -0.574 . . . . 50.0 109.449 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.92 -46.26 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 109.366 -0.605 . . . . 50.0 109.366 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.3 -44.45 88.53 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 120.9 0.381 . . . . 50.0 112.007 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.0 t -67.17 -43.48 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.279 -0.418 . . . . 50.0 111.187 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -59.99 -43.57 95.07 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.656 -0.652 . . . . 50.0 110.062 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -69.03 -19.17 64.11 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.534 0.568 . . . . 50.0 112.534 -176.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.31 -29.78 69.44 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 122.157 -0.339 . . . . 25.0 111.455 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -109.18 -11.3 14.92 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.862 0.689 . . . . 25.0 112.862 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.9 p -67.02 165.82 14.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.421 0.629 . . . . 25.0 111.995 -175.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.01 -8.94 36.56 Favored Glycine 0 C--O 1.222 -0.634 0 C-N-CA 121.105 -0.569 . . . . 25.0 112.216 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -64.25 -29.52 70.61 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 120.785 0.326 . . . . 50.0 111.665 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -76.31 -25.63 54.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.677 0.751 . . . . 50.0 110.276 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.57 -28.63 5.67 Favored Glycine 0 C--O 1.227 -0.314 0 N-CA-C 110.359 -1.096 . . . . 50.0 110.359 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -101.28 147.34 26.41 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.768 0.794 . . . . 50.0 112.628 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -27.08 68.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 116.011 1.856 . . . . 25.0 116.011 -176.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -106.18 15.63 26.01 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.955 -0.465 . . . . 50.0 110.903 -175.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' HZ2' ' CD ' ' A' ' 68' ' ' GLU . 1.8 mmmp? -130.25 146.3 51.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.542 0.571 . . . . 50.0 112.542 -174.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -140.88 133.53 28.73 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 109.314 -0.624 . . . . 50.0 109.314 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 3.3 m -69.5 147.39 50.92 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.982 -0.449 . . . . 50.0 111.457 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.708 1.373 . . . . 50.0 114.708 -175.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -30.34 53.66 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.913 0.709 . . . . 50.0 112.913 176.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -79.85 -30.26 40.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.408 0.623 . . . . 50.0 110.436 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.3 tp -62.95 -29.43 70.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.165 -0.47 . . . . 50.0 111.002 176.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -61.43 -34.84 76.08 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 120.644 -0.422 . . . . 50.0 110.603 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.29 -45.43 84.43 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.198 -0.667 . . . . 50.0 109.198 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.19 -47.1 87.39 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.325 -0.62 . . . . 50.0 109.325 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.72 -32.82 73.07 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 121.412 0.625 . . . . 50.0 111.578 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -81.94 -17.59 46.51 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 123.386 0.675 . . . . 50.0 112.048 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -105.26 -51.0 3.1 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.924 0.712 . . . . 25.0 112.924 -175.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -89.27 -17.68 28.52 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.495 0.664 . . . . 50.0 110.195 -174.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -119.7 12.31 12.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.0 -1.0 . . . . 50.0 110.715 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -31.74 7.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.071 1.137 . . . . 50.0 114.071 172.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.32 -34.1 46.78 Favored Glycine 0 C--O 1.225 -0.439 0 C-N-CA 120.515 -0.85 . . . . 50.0 111.395 -177.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -76.32 -27.87 56.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.704 -0.85 . . . . 50.0 108.704 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -40.15 76.7 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 109.588 -0.523 . . . . 50.0 109.588 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -68.0 -31.16 70.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.898 0.856 . . . . 50.0 110.307 176.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.49 18.39 11.39 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.577 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.88 151.2 35.26 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.694 -0.484 . . . . 50.0 109.694 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -133.1 -44.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.142 -0.688 . . . . 50.0 109.142 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -84.55 85.97 7.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.879 -1.156 . . . . 50.0 107.879 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 m -63.54 -23.82 34.28 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 115.193 -0.912 . . . . 50.0 111.142 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 19.0 t70 -74.01 -39.39 63.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.978 0.418 . . . . 50.0 110.779 177.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.42 -38.37 49.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.206 0.447 . . . . 25.0 112.206 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -63.6 -37.02 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.188 -1.041 . . . . 50.0 108.188 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -76.4 -29.57 57.15 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 115.138 -0.937 . . . . 50.0 111.15 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -60.92 -38.57 86.23 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.822 -0.351 . . . . 25.0 110.802 179.364 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.78 -43.64 79.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 122.041 0.924 . . . . 50.0 109.435 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -69.67 -47.7 62.37 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.464 -0.789 . . . . 50.0 112.237 -174.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -37.48 87.72 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.173 -0.306 . . . . 50.0 110.173 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.67 -48.61 80.48 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.347 -0.541 . . . . 50.0 109.69 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.01 -20.89 51.65 Favored 'General case' 0 C--O 1.209 -1.071 0 C-N-CA 119.043 -1.063 . . . . 50.0 110.356 -174.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.68 -26.8 66.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.208 0.527 . . . . 25.0 110.13 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -95.15 -29.23 14.65 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.828 0.823 . . . . 50.0 109.453 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -94.83 25.26 4.19 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.261 -0.882 . . . . 50.0 109.148 177.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.64 18.27 4.83 Favored Glycine 0 C--O 1.216 -0.971 0 CA-C-N 115.815 -0.63 . . . . 25.0 113.381 -176.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -116.76 -3.82 11.68 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.091 0.472 . . . . 25.0 110.104 168.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.98 -156.3 32.61 Favored Glycine 0 N--CA 1.436 -1.362 0 CA-C-O 122.759 1.199 . . . . 50.0 110.52 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -153.93 170.7 20.42 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 113.853 -1.174 . . . . 50.0 110.257 -170.04 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -144.3 168.92 10.01 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 O-C-N 124.473 1.108 . . . . 50.0 109.559 176.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -121.94 -174.08 2.8 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 104.927 -2.249 . . . . 50.0 104.927 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -54.03 -47.0 72.03 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.492 0.923 . . . . 50.0 113.492 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -55.77 -46.4 77.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.179 0.445 . . . . 50.0 111.155 -177.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -74.5 -37.19 63.19 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.679 0.752 . . . . 50.0 109.911 -173.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -41.24 87.14 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.953 -0.758 . . . . 50.0 108.953 178.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.92 -35.83 55.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 122.141 -0.35 . . . . 50.0 111.439 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.7 t -57.76 -46.07 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.2 mt -70.32 -36.53 74.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.2 -0.454 . . . . 50.0 110.863 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.6 t -62.85 -44.5 99.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.651 -0.5 . . . . 50.0 109.651 176.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.63 91.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.037 -0.414 . . . . 25.0 110.207 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.8 -43.18 97.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.263 0.554 . . . . 25.0 110.587 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 tt -67.4 -37.01 82.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.425 0.631 . . . . 50.0 109.424 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.7 m -63.34 -43.44 97.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.481 . . . . 25.0 111.797 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.4 m -71.03 -23.94 23.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 120.549 -1.344 . . . . 50.0 112.108 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.74 -17.4 64.84 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.51 0.672 . . . . 25.0 111.021 174.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -102.96 -15.45 16.13 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.006 -1.059 . . . . 25.0 111.998 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -58.83 -20.78 53.57 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.795 0.807 . . . . 25.0 110.772 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -57.56 -16.1 9.15 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 114.256 1.206 . . . . 50.0 114.256 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -73.11 -11.23 60.47 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.567 -0.708 . . . . 75.0 111.805 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -95.77 11.88 31.98 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.663 0.385 . . . . 50.0 110.345 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -129.71 127.31 40.21 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 106.338 -1.727 . . . . 50.0 106.338 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.84 77.92 9.63 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.273 0.559 . . . . 50.0 110.167 -176.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.207 -0.901 . . . . 25.0 110.295 177.084 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 CA-C-O 119.085 -0.842 . . . . 25.0 111.525 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -64.68 173.01 2.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.471 0.635 . . . . 25.0 110.048 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.5 -41.78 95.03 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.014 0.435 . . . . 75.0 110.552 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tt -64.72 -42.66 95.09 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.961 0.886 . . . . 50.0 110.246 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.54 -34.94 79.02 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.436 -0.79 . . . . 50.0 112.109 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.4 p -75.57 -26.91 58.32 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.524 -0.47 . . . . 25.0 110.076 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.01 95.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 85.3 mmm -69.82 -33.97 73.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.873 0.694 . . . . 50.0 112.873 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.39 -27.83 65.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.806 -0.758 . . . . 50.0 109.613 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 46.0 m -64.65 -43.41 93.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 25.0 110.323 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -36.42 78.18 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.591 -0.522 . . . . 50.0 109.591 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 99.1 mt -64.3 -46.44 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 N-CA-C 109.406 -0.59 . . . . 50.0 109.406 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -60.07 -47.29 86.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.708 0.289 . . . . 75.0 111.479 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.87 -44.16 98.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.03 -0.532 . . . . 50.0 110.34 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.57 -48.01 83.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.448 0.642 . . . . 50.0 110.597 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -69.64 -19.7 63.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.082 0.771 . . . . 50.0 113.082 -173.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.68 95.56 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.655 0.264 . . . . 25.0 111.461 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -93.37 -18.09 22.79 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.513 0.197 . . . . 25.0 111.392 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.3 m -59.65 149.23 31.07 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.89 11.37 53.41 Favored Glycine 0 CA--C 1.512 -0.129 0 N-CA-C 115.474 0.95 . . . . 25.0 115.474 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -63.08 -34.7 78.15 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.057 0.928 . . . . 50.0 109.436 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -89.61 -4.98 57.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.818 -1.083 . . . . 50.0 113.528 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.97 -31.0 9.2 Favored Glycine 0 N--CA 1.463 0.498 0 CA-C-O 119.84 -0.422 . . . . 50.0 113.599 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -80.28 110.19 15.48 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 105.032 -2.21 . . . . 50.0 105.032 173.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -73.38 -21.64 60.46 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.964 1.098 . . . . 25.0 113.964 -167.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -96.47 4.86 51.84 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.587 -0.894 . . . . 50.0 108.587 -176.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -117.22 162.8 17.28 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.628 0.771 . . . . 50.0 110.93 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.53 131.11 25.5 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.982 -1.859 . . . . 50.0 105.982 173.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 1.8 m -66.23 150.22 49.14 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.632 -0.427 . . . . 50.0 111.333 -175.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -61.03 -41.66 96.99 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.857 0.688 . . . . 50.0 112.857 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -30.25 71.01 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.639 1.109 . . . . 50.0 111.177 178.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -79.33 -23.49 43.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.583 0.706 . . . . 50.0 109.563 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.4 -33.25 75.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.55 -0.537 . . . . 50.0 109.55 176.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -63.09 -36.66 84.34 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 116.29 -0.413 . . . . 50.0 110.281 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.55 -47.21 84.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.66 -46.0 92.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.95 -0.568 . . . . 50.0 110.192 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.34 -28.93 69.64 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 121.236 0.541 . . . . 50.0 111.548 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -81.99 -18.69 42.48 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 122.728 0.411 . . . . 50.0 110.187 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 39.4 m -96.98 -51.71 4.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -100.69 -23.0 14.73 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 114.299 1.222 . . . . 50.0 114.299 -173.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.9 tp -104.92 11.13 33.93 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.399 -0.963 . . . . 50.0 108.399 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -38.63 25.06 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 115.483 1.66 . . . . 50.0 115.483 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.68 -31.22 67.81 Favored Glycine 0 C--N 1.322 -0.195 0 O-C-N 121.447 -0.783 . . . . 50.0 112.366 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -74.96 -24.91 58.54 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.616 -0.883 . . . . 50.0 108.616 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.76 -40.05 34.43 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.242 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.94 -34.96 79.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.709 0.766 . . . . 50.0 110.349 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.54 27.99 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.458 -0.792 . . . . 25.0 110.59 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -61.21 150.03 35.75 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.971 -0.752 . . . . 50.0 108.971 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -133.24 -50.71 0.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.187 0.518 . . . . 50.0 110.052 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -81.14 83.86 6.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.27 -1.011 . . . . 50.0 108.27 175.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.9 m -64.2 -30.35 49.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.361 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.49 -32.17 71.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.352 0.596 . . . . 50.0 110.263 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.22 -39.5 23.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.249 -0.432 . . . . 25.0 111.263 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 p -69.52 -40.0 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.467 -0.568 . . . . 50.0 109.467 -175.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -77.17 -27.22 53.66 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.306 -0.406 . . . . 50.0 110.856 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -55.28 -44.71 75.91 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 110.107 -0.331 . . . . 25.0 110.107 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.0 t -71.66 -41.6 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.601 0.715 . . . . 50.0 109.565 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.1 mmt -68.99 -47.96 64.27 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 115.949 -0.569 . . . . 50.0 112.49 -175.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -36.58 82.13 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.829 -0.348 . . . . 50.0 110.226 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -62.82 -42.9 99.92 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.082 -0.647 . . . . 50.0 110.148 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.55 -21.17 52.97 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 119.769 -0.772 . . . . 50.0 110.271 -178.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.52 -27.37 69.1 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.066 0.46 . . . . 25.0 110.462 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -102.97 -25.39 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.409 0.623 . . . . 50.0 111.301 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -97.25 10.45 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.425 0.631 . . . . 50.0 112.196 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.77 -17.33 60.35 Favored Glycine 0 C--O 1.22 -0.746 0 N-CA-C 116.59 1.396 . . . . 25.0 116.59 -169.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -82.89 -7.86 59.62 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.495 0.664 . . . . 25.0 110.453 -172.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.92 -162.91 37.13 Favored Glycine 0 N--CA 1.42 -2.382 0 N-CA-C 106.388 -2.685 . . . . 50.0 106.388 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 3.8 pm0 -143.46 166.76 23.89 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.527 -0.836 . . . . 50.0 110.277 -175.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.04 167.56 25.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.34 -0.985 . . . . 50.0 108.34 175.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -120.31 -174.1 2.71 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 104.509 -2.404 . . . . 50.0 104.509 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -52.7 -47.58 67.17 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 113.194 0.813 . . . . 50.0 113.194 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -55.53 -48.7 74.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.356 0.525 . . . . 50.0 111.044 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -72.09 -41.54 67.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.722 0.772 . . . . 50.0 109.652 -173.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.86 -40.92 85.75 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.499 -0.773 . . . . 50.0 110.419 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 79.0 t -71.18 -36.68 63.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 122.261 -0.275 . . . . 50.0 111.014 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.89 -44.2 93.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.195 0.521 . . . . 50.0 109.683 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.35 -35.71 73.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.084 0.469 . . . . 50.0 111.035 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.7 t -63.36 -42.91 98.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.24 -0.652 . . . . 50.0 109.24 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.58 85.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.944 -0.472 . . . . 25.0 110.724 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -39.4 94.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.496 0.665 . . . . 25.0 110.105 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.14 -32.57 69.13 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.916 -0.49 . . . . 50.0 110.025 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.5 m -65.05 -43.24 92.94 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.994 -0.441 . . . . 25.0 110.85 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.2 m -71.48 -19.34 20.54 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 O-C-N 121.362 -0.836 . . . . 50.0 111.67 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.91 0.74 2.28 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 122.047 0.927 . . . . 25.0 112.422 170.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.38 -25.18 59.34 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.917 1.821 . . . . 25.0 115.917 -172.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -67.33 -20.82 65.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.636 0.731 . . . . 25.0 110.385 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -15.78 60.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.396 0.887 . . . . 50.0 113.396 176.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -68.11 9.64 0.29 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.646 1.35 . . . . 50.0 114.646 -175.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 82.7 m95 -97.7 4.24 50.04 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.809 -0.811 . . . . 50.0 108.809 -177.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -148.33 160.35 43.08 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 100.932 -3.729 . . . . 50.0 100.932 173.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -85.67 78.18 9.65 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.15 0.5 . . . . 50.0 109.823 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.248 0.988 0 CA-C-O 117.487 -1.244 . . . . 25.0 108.715 179.014 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.393 0 CA-C-O 118.867 -0.963 . . . . 25.0 111.44 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -65.71 175.63 1.82 Allowed 'General case' 0 C--O 1.236 0.394 0 CA-C-N 117.564 0.682 . . . . 25.0 110.226 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.4 -43.42 98.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.803 0.335 . . . . 75.0 110.315 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.72 -41.83 98.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.904 0.859 . . . . 50.0 110.444 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.32 -35.01 79.27 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.297 -0.877 . . . . 50.0 112.259 -175.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.2 p -76.42 -26.51 55.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.591 -0.444 . . . . 25.0 109.861 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.85 92.55 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 172.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.2 mmm -70.26 -32.86 70.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.731 1.012 . . . . 50.0 113.731 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -68.87 -27.66 66.01 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 119.806 -0.758 . . . . 50.0 109.345 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.5 m -64.23 -42.09 96.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.876 0.369 . . . . 25.0 110.155 172.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.83 -34.98 78.45 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.62 -0.511 . . . . 50.0 109.62 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -67.1 -47.62 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 108.765 -0.828 . . . . 50.0 108.765 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -58.37 -47.26 84.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 50.0 111.796 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -73.59 -34.28 41.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.559 -0.291 . . . . 50.0 111.45 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.02 -45.45 92.74 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.187 -0.945 . . . . 50.0 108.911 171.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -65.37 -19.06 65.78 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.583 -0.735 . . . . 50.0 112.908 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.39 76.33 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.45 -0.781 . . . . 25.0 111.241 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -95.36 -12.67 25.66 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.8 p -66.73 173.25 3.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.149 0.5 . . . . 25.0 112.25 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.55 -2.08 57.25 Favored Glycine 0 C--O 1.22 -0.733 0 C-N-CA 120.46 -0.876 . . . . 25.0 114.617 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -28.59 69.51 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 117.599 0.7 . . . . 50.0 109.971 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.87 -29.75 58.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.879 0.847 . . . . 50.0 111.421 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.91 -30.76 5.76 Favored Glycine 0 C--O 1.228 -0.226 0 N-CA-C 109.546 -1.422 . . . . 50.0 109.546 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -90.52 137.31 32.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 105.603 -1.999 . . . . 50.0 105.603 172.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -89.86 -8.0 52.98 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 113.64 0.978 . . . . 25.0 113.64 -172.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -103.18 15.41 29.32 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.894 -1.15 . . . . 50.0 107.894 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -133.73 153.75 51.47 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 114.829 -1.078 . . . . 50.0 111.212 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.3 tp -149.36 135.59 19.1 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.4 m -66.43 147.9 52.64 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.995 -0.441 . . . . 50.0 111.059 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -59.88 -48.77 80.35 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.895 1.072 . . . . 50.0 113.895 -174.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -32.45 66.02 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.603 0.594 . . . . 50.0 112.603 176.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.19 -24.96 54.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.982 0.42 . . . . 50.0 111.025 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.06 -25.18 64.32 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.769 -0.582 . . . . 50.0 110.72 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -62.27 -32.57 73.3 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 120.288 -0.565 . . . . 50.0 109.824 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.09 -48.82 76.98 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.235 -0.654 . . . . 50.0 109.235 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.53 -46.16 91.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.181 -0.674 . . . . 50.0 109.181 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.82 -31.61 72.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.281 0.563 . . . . 50.0 111.57 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.9 -22.05 37.04 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.24 0.616 . . . . 50.0 112.08 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 m -100.34 -51.51 3.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -175.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -94.01 -26.92 16.59 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.336 0.495 . . . . 50.0 112.336 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 tp -104.07 11.38 35.31 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.629 -1.249 . . . . 50.0 107.629 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -48.79 -40.93 30.83 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 116.078 1.881 . . . . 50.0 116.078 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.83 -37.12 75.2 Favored Glycine 0 C--O 1.229 -0.218 0 C-N-CA 120.401 -0.904 . . . . 50.0 110.927 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -69.12 -31.76 70.69 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.959 -0.73 . . . . 50.0 109.036 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.22 -40.96 74.23 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 123.355 0.41 . . . . 50.0 110.598 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.95 -35.54 80.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.669 0.747 . . . . 50.0 110.828 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.65 30.96 2.43 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.829 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -63.82 159.57 19.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.011 -0.54 . . . . 50.0 109.752 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -133.14 -53.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.484 0.659 . . . . 50.0 110.546 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -83.15 84.1 7.61 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.432 -0.951 . . . . 50.0 108.432 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.85 -25.1 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.943 -1.026 . . . . 50.0 112.407 -174.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.06 -43.98 70.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.34 0.591 . . . . 50.0 109.622 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.04 64.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.93 -175.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.58 -38.64 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.737 -0.838 . . . . 50.0 108.737 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -80.42 -30.47 37.69 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.264 -0.425 . . . . 50.0 111.152 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -35.47 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.967 -0.458 . . . . 25.0 110.243 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.5 t -72.64 -42.97 62.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.378 -0.601 . . . . 50.0 109.378 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -69.16 -47.83 63.92 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.951 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -36.0 82.4 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.45 -0.204 . . . . 50.0 110.45 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -61.39 -46.61 89.45 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.071 -0.652 . . . . 50.0 109.531 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.09 -21.45 54.3 Favored 'General case' 0 C--O 1.208 -1.108 0 C-N-CA 119.314 -0.954 . . . . 50.0 110.083 -175.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.43 -28.13 69.77 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.223 0.535 . . . . 25.0 110.593 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -102.24 -22.85 14.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.497 0.665 . . . . 50.0 110.627 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' ' 66' ' ' ASP . 30.2 m-80 -95.26 18.04 13.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.558 -0.904 . . . . 50.0 108.558 175.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.39 23.99 2.7 Favored Glycine 0 C--O 1.218 -0.844 0 CA-C-N 115.721 -0.672 . . . . 25.0 113.5 -176.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 64' ' ' ASN . 6.3 t0 -115.85 -10.72 11.65 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 120.734 0.302 . . . . 25.0 110.685 170.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.12 -155.66 31.89 Favored Glycine 0 N--CA 1.436 -1.356 0 CA-C-O 122.896 1.276 . . . . 50.0 111.53 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.3 pt-20 -153.88 162.76 40.96 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 113.747 -1.227 . . . . 50.0 110.039 -170.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 m -142.6 168.64 13.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 123.799 0.687 . . . . 50.0 111.021 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -119.67 -174.18 2.69 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.625 -1.62 . . . . 50.0 106.625 174.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -52.46 -47.47 66.44 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.793 1.035 . . . . 50.0 113.793 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.76 -46.02 77.96 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.532 0.606 . . . . 50.0 110.911 -177.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.22 -39.65 68.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.997 0.903 . . . . 50.0 109.358 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -39.79 91.8 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.358 -0.837 . . . . 50.0 109.915 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.07 -36.14 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.416 -0.178 . . . . 50.0 110.594 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.3 t -57.25 -45.25 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.307 -0.627 . . . . 50.0 109.307 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.03 -36.06 72.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.6 -178.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.6 -43.84 96.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.864 -0.421 . . . . 50.0 109.864 176.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.39 83.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.066 -0.396 . . . . 25.0 110.373 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.99 99.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.181 0.515 . . . . 25.0 110.631 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.45 -33.69 71.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.25 0.547 . . . . 50.0 109.944 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.7 m -64.23 -43.73 94.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.097 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.2 m -72.39 -19.0 19.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 O-C-N 121.68 -0.638 . . . . 50.0 112.341 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.05 0.69 1.78 Allowed 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 121.865 0.84 . . . . 25.0 111.192 170.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.08 -15.47 62.01 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.315 -1.491 . . . . 25.0 111.987 -176.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.448 ' HA ' ' HD1' ' A' ' 90' ' ' TRP . 13.2 t30 -56.3 -20.81 20.49 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 112.859 0.688 . . . . 25.0 112.859 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -55.54 -29.97 59.91 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.439 0.533 . . . . 50.0 112.439 174.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -68.55 -18.43 64.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 118.72 0.691 . . . . 75.0 111.76 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.448 ' HD1' ' HA ' ' A' ' 87' ' ' ASN . 22.8 m95 -111.15 7.09 21.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.705 -0.68 . . . . 50.0 110.584 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -118.09 103.14 9.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.569 0.699 . . . . 50.0 109.748 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -94.8 78.09 3.67 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.763 -1.199 . . . . 50.0 107.763 172.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 55.9 m . . . . . 0 C--O 1.246 0.918 0 CA-C-O 117.19 -1.386 . . . . 25.0 109.981 -179.094 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.169 0 CA-C-O 118.765 -1.02 . . . . 25.0 111.19 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.25 170.53 7.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.978 -1.119 . . . . 25.0 107.978 172.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -61.18 -35.67 77.79 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.207 0.527 . . . . 75.0 110.733 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.81 -42.32 97.71 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 121.75 0.786 . . . . 50.0 110.077 176.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -69.35 -35.85 76.3 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 121.707 -0.62 . . . . 50.0 111.467 -175.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.6 p -73.84 -25.34 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.573 -0.451 . . . . 25.0 110.03 175.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.67 92.49 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 173.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 92.6 mmm -70.7 -33.44 70.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.908 0.707 . . . . 50.0 112.908 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.57 -27.01 65.69 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.294 -0.632 . . . . 50.0 109.294 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.1 m -64.63 -43.21 94.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.433 -0.349 . . . . 25.0 110.348 173.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.24 -36.82 81.03 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.373 -0.603 . . . . 50.0 109.373 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.7 mt -65.88 -45.5 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.385 -0.598 . . . . 50.0 109.385 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -58.9 -45.0 91.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.91 0.386 . . . . 75.0 111.034 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 76.3 t -67.19 -43.73 88.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 50.0 111.29 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -59.86 -44.17 94.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.406 0.622 . . . . 50.0 109.507 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -68.09 -18.65 64.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.191 0.811 . . . . 50.0 113.191 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.45 89.48 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.897 -0.502 . . . . 25.0 111.62 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -101.87 -16.58 16.52 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 -177.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.7 p -64.55 157.04 27.95 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.345 1.239 . . . . 25.0 114.345 -174.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.64 15.17 25.51 Favored Glycine 0 N--CA 1.46 0.283 0 N-CA-C 117.498 1.759 . . . . 25.0 117.498 176.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -74.03 -34.52 64.13 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.617 1.209 . . . . 50.0 110.004 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -78.88 -13.32 59.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.346 -0.843 . . . . 50.0 112.363 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.89 -30.88 7.14 Favored Glycine 0 N--CA 1.454 -0.159 0 CA-C-N 116.071 -0.513 . . . . 50.0 112.9 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -87.61 120.17 28.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.434 -1.691 . . . . 50.0 106.434 174.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -73.2 -15.8 61.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.111 -171.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -105.04 17.05 24.8 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.234 0.54 . . . . 50.0 110.297 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -128.16 156.22 43.23 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.625 -0.88 . . . . 50.0 108.625 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -140.98 129.24 22.27 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 108.928 -0.767 . . . . 50.0 108.928 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 2.0 m -67.47 145.75 54.66 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.303 -0.248 . . . . 50.0 111.109 -177.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -59.26 -46.07 89.5 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.035 1.124 . . . . 50.0 114.035 -174.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -32.72 68.0 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.932 0.787 . . . . 50.0 112.373 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -77.89 -28.42 49.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.592 0.711 . . . . 50.0 110.008 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.75 -34.5 78.02 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.002 -0.437 . . . . 50.0 110.026 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -62.16 -34.7 76.91 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 120.387 -0.525 . . . . 50.0 110.669 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.97 -47.58 84.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.681 -0.859 . . . . 50.0 108.681 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.93 -46.06 92.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.785 -0.643 . . . . 50.0 109.665 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.43 -29.19 70.25 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 121.357 0.598 . . . . 50.0 111.801 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.87 -19.49 40.82 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.199 0.6 . . . . 50.0 110.822 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 45.0 m -99.6 -59.91 1.63 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.643 -0.708 . . . . 25.0 112.267 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -83.94 -27.19 28.69 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 113.016 0.747 . . . . 50.0 113.016 -176.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 tp -106.36 13.61 28.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.621 0.724 . . . . 50.0 109.583 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.24 -39.98 57.84 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.566 1.691 . . . . 50.0 115.566 177.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.27 -34.83 63.97 Favored Glycine 0 C--O 1.224 -0.528 0 N-CA-C 110.956 -0.858 . . . . 50.0 110.956 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -69.52 -31.03 69.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.91 -0.759 . . . . 50.0 109.04 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.87 -39.26 76.44 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.719 0.295 . . . . 50.0 110.503 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -67.96 -30.34 69.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.885 0.85 . . . . 50.0 110.41 176.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.3 29.03 2.99 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 115.58 -0.736 . . . . 25.0 109.304 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -67.07 150.67 48.88 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.068 -1.086 . . . . 50.0 108.068 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -138.28 -49.25 0.55 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.394 -1.336 . . . . 50.0 107.394 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -78.85 89.57 4.67 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 115.296 -0.865 . . . . 50.0 109.39 172.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 30.3 m -67.95 -24.09 29.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 116.463 -0.335 . . . . 50.0 110.937 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.14 -39.87 60.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.56 0.695 . . . . 50.0 109.578 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.65 -36.79 37.28 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.394 0.516 . . . . 25.0 112.394 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.29 -39.03 84.06 Favored 'Isoleucine or valine' 0 C--O 1.248 1.005 0 N-CA-C 108.604 -0.887 . . . . 50.0 108.604 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -79.11 -24.46 43.4 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 121.911 0.863 . . . . 50.0 111.371 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -60.35 -27.33 67.3 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.571 -0.74 . . . . 25.0 111.15 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -85.52 -45.08 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.578 0.704 . . . . 50.0 109.617 176.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 8.6 mmt -66.8 -54.2 25.04 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.934 -0.575 . . . . 50.0 112.543 -173.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -35.33 79.94 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 121.159 -0.216 . . . . 50.0 110.584 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.21 -49.34 78.0 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.505 -0.478 . . . . 50.0 109.989 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.8 -20.38 56.47 Favored 'General case' 0 C--O 1.209 -1.036 0 C-N-CA 119.521 -0.871 . . . . 50.0 109.894 -175.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.55 -26.44 67.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 25.0 110.432 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -100.54 -26.59 13.79 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.555 0.693 . . . . 50.0 110.348 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' B' ' 66' ' ' ASP . 54.1 m-80 -95.39 21.98 7.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 50.0 109.669 177.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.54 24.23 2.7 Favored Glycine 0 C--O 1.215 -1.073 0 CA-C-N 115.726 -0.67 . . . . 25.0 112.826 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' B' ' 64' ' ' ASN . 4.6 t0 -115.86 -7.78 12.0 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 122.586 -0.361 . . . . 25.0 111.287 170.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.82 -157.86 32.82 Favored Glycine 0 N--CA 1.435 -1.428 0 N-CA-C 109.619 -1.392 . . . . 50.0 109.619 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 12.3 pt-20 -151.96 164.61 36.8 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.127 -1.037 . . . . 50.0 110.363 -174.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.33 172.74 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.449 -0.796 . . . . 50.0 109.479 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -119.9 -174.07 2.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.127 -1.805 . . . . 50.0 106.127 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -54.79 -47.01 74.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.287 0.847 . . . . 50.0 113.287 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -55.25 -48.09 74.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 118.186 0.448 . . . . 50.0 110.917 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -68.48 -43.76 76.24 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 108.669 -0.863 . . . . 50.0 108.669 -173.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -41.04 82.61 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.275 -0.875 . . . . 50.0 110.571 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.2 t -71.78 -36.62 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 122.171 -0.331 . . . . 50.0 111.076 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.21 -43.97 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 109.638 -0.504 . . . . 50.0 109.638 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.2 mt -69.76 -36.62 75.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.094 0.473 . . . . 50.0 110.788 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.7 t -62.16 -44.72 99.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.164 -0.68 . . . . 50.0 109.164 175.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.87 88.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.018 -0.426 . . . . 25.0 110.679 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.55 98.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.5 0.667 . . . . 25.0 110.503 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.35 -33.27 72.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.312 0.577 . . . . 50.0 110.099 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 51.0 m -65.11 -45.1 86.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.295 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.38 -22.13 22.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 O-C-N 121.343 -0.848 . . . . 50.0 111.431 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.78 -4.38 6.48 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.472 0.653 . . . . 25.0 111.296 172.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -41.78 -22.19 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 120.085 3.365 . . . . 25.0 120.085 -172.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -26.88 8.42 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.828 1.788 . . . . 25.0 115.828 -176.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -70.8 -20.81 62.55 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 112.742 0.645 . . . . 50.0 112.742 -177.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -85.29 -17.45 36.86 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 111.883 0.327 . . . . 50.0 111.883 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -120.17 -0.4 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 114.861 1.43 . . . . 50.0 114.861 -171.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -128.88 103.2 6.9 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.325 -0.991 . . . . 50.0 108.325 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.54 94.51 8.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.991 -1.004 . . . . 50.0 110.144 -176.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.208 -0.901 . . . . 25.0 110.616 176.724 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 119.536 -0.591 . . . . 25.0 111.779 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -70.7 178.76 2.89 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 171.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.23 -44.06 95.52 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.404 0.621 . . . . 75.0 110.831 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.54 -41.77 92.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.907 0.86 . . . . 50.0 109.648 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.18 -34.79 76.94 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 121.348 -0.845 . . . . 50.0 111.598 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 p -71.3 -27.89 63.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 120.113 -0.635 . . . . 25.0 109.775 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.03 -46.77 82.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.3 mmm -71.81 -32.78 67.94 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.064 0.764 . . . . 50.0 113.064 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -69.8 -25.86 63.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.75 -0.833 . . . . 50.0 108.75 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.8 m -67.44 -42.91 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.081 -0.387 . . . . 25.0 110.615 171.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.44 -34.5 74.07 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 108.835 -0.802 . . . . 50.0 108.835 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.21 -48.7 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 109.107 -0.701 . . . . 50.0 109.107 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -57.63 -50.36 73.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.073 0.463 . . . . 50.0 110.436 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.72 -45.78 97.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.631 -0.713 . . . . 50.0 112.279 -177.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -61.2 -47.86 84.18 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.674 -0.641 . . . . 50.0 110.535 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -74.08 -13.87 60.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.088 0.773 . . . . 50.0 113.088 -174.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.61 -54.18 48.96 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 117.995 0.361 . . . . 25.0 111.481 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.306 13.9 p80 -126.91 30.05 5.54 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 177.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 p -63.23 171.0 2.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 113.852 -1.522 . . . . 25.0 108.426 162.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.26 31.06 48.29 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.135 -1.031 . . . . 25.0 115.393 173.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -67.2 -30.23 70.11 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 106.453 -1.684 . . . . 50.0 106.453 172.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -86.54 -5.56 59.12 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.397 -1.274 . . . . 50.0 113.088 175.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.98 -29.86 10.16 Favored Glycine 0 N--CA 1.461 0.31 0 N-CA-C 115.625 1.01 . . . . 50.0 115.625 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -88.24 115.52 25.8 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.509 1.155 . . . . 50.0 108.503 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -75.69 -10.96 59.88 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -171.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.29 1.43 57.23 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.493 -0.558 . . . . 50.0 109.493 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.15 159.37 37.03 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.959 -0.564 . . . . 50.0 110.525 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -147.87 134.66 20.04 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.595 -1.261 . . . . 50.0 107.595 172.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.493 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 8.6 m -66.6 146.59 54.33 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.21 -0.663 . . . . 50.0 109.21 -177.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -55.8 -50.36 70.69 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.441 0.904 . . . . 50.0 113.441 -176.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -30.07 66.99 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.349 0.522 . . . . 50.0 112.255 177.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.5 -26.24 38.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.363 0.601 . . . . 50.0 110.378 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.26 -33.59 75.64 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 121.594 -0.691 . . . . 50.0 109.325 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -56.48 -36.71 69.42 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 120.826 -0.35 . . . . 50.0 110.653 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.5 -48.09 81.1 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.279 -0.637 . . . . 50.0 109.279 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.36 -43.62 98.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.628 0.728 . . . . 50.0 110.446 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.3 mt -65.66 -31.11 71.95 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.71 -0.677 . . . . 50.0 112.388 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -81.83 -22.58 36.93 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 123.028 0.531 . . . . 50.0 109.807 -178.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.1 m -88.29 -51.62 5.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.796 -0.638 . . . . 25.0 111.333 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -90.37 -44.84 9.4 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.31 0.856 . . . . 50.0 113.31 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.27 8.26 21.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.264 0.554 . . . . 50.0 110.406 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.13 -36.73 8.81 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 115.574 1.694 . . . . 50.0 115.574 175.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.35 -36.77 63.16 Favored Glycine 0 C--O 1.223 -0.557 0 C-N-CA 120.525 -0.845 . . . . 50.0 111.711 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -72.88 -28.13 62.31 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.771 -0.826 . . . . 50.0 108.771 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.75 -40.59 84.08 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 108.854 -0.795 . . . . 50.0 108.854 177.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.36 -31.6 67.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.599 0.714 . . . . 50.0 111.392 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.58 20.99 4.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 -176.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.69 153.29 28.6 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.265 -0.425 . . . . 50.0 109.931 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -133.73 -46.42 0.8 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.368 -0.975 . . . . 50.0 108.368 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -83.56 87.82 7.02 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.072 -1.084 . . . . 50.0 108.072 174.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.33 -28.24 44.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.555 -0.748 . . . . 50.0 110.148 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.8 -41.14 79.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.429 -0.582 . . . . 50.0 109.429 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.99 -37.99 33.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.024 -0.534 . . . . 25.0 112.145 -175.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.4 -39.23 84.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.328 -0.989 . . . . 50.0 108.328 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -80.42 -30.0 37.67 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.019 -0.537 . . . . 50.0 110.029 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -58.06 -42.75 86.13 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 120.522 -0.471 . . . . 25.0 109.965 176.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.7 t -69.01 -40.69 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 108.561 -0.903 . . . . 50.0 108.561 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mmt -67.66 -52.22 40.59 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.584 -0.734 . . . . 50.0 111.751 -177.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -38.97 93.1 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 121.04 -0.264 . . . . 50.0 110.571 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -60.41 -42.23 95.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.104 -0.332 . . . . 50.0 110.104 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.96 -24.35 43.96 Favored 'General case' 0 C--O 1.206 -1.221 0 C-N-CA 118.858 -1.137 . . . . 50.0 110.455 -178.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.75 -26.6 66.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.167 0.508 . . . . 25.0 110.53 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -93.09 -24.18 18.38 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 122.017 0.913 . . . . 50.0 108.71 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -95.14 17.7 13.64 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.894 -1.15 . . . . 50.0 107.894 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.64 32.52 2.13 Favored Glycine 0 C--O 1.216 -1.004 0 CA-C-N 115.873 -0.603 . . . . 25.0 113.506 -173.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -115.81 -29.87 6.27 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.356 -0.422 . . . . 25.0 110.225 174.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.51 -151.33 13.19 Favored Glycine 0 N--CA 1.441 -1.025 0 CA-C-O 122.755 1.197 . . . . 50.0 111.828 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 15.3 pt-20 -151.18 165.23 34.56 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.843 -1.178 . . . . 50.0 110.252 -169.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 m -135.89 175.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.25 -0.886 . . . . 50.0 110.027 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -127.91 -174.28 3.16 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.315 -2.106 . . . . 50.0 105.315 174.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -52.11 -49.19 64.13 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.616 0.969 . . . . 50.0 113.616 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -55.59 -44.92 77.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.655 0.661 . . . . 50.0 111.156 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -42.21 70.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.11 0.957 . . . . 50.0 109.947 -176.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -38.35 82.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.249 -0.887 . . . . 50.0 110.179 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.8 t -71.83 -35.83 56.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.613 0.244 . . . . 50.0 110.678 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.0 t -58.69 -45.73 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 109.405 -0.591 . . . . 50.0 109.405 177.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.39 -37.8 77.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.17 0.51 . . . . 50.0 111.022 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.5 t -61.54 -45.58 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.508 -0.553 . . . . 50.0 109.508 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.77 88.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.1 -0.375 . . . . 25.0 110.624 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.34 99.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.262 0.553 . . . . 25.0 110.745 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 tt -69.35 -38.08 77.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.69 0.757 . . . . 50.0 110.064 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.8 m -58.49 -44.33 89.36 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.962 -0.563 . . . . 25.0 111.294 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.09 -25.64 21.99 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 N-CA-C 113.478 0.918 . . . . 50.0 113.478 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.27 -27.56 68.72 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 122.268 1.032 . . . . 25.0 109.676 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -79.55 -15.36 57.83 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.176 -1.578 . . . . 25.0 114.563 -171.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -56.73 -20.93 24.59 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.28 0.562 . . . . 25.0 112.195 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -45.23 -16.06 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 115.126 1.528 . . . . 50.0 115.126 170.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -51.25 -32.52 24.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.489 0.716 . . . . 75.0 112.757 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -82.11 9.62 8.22 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 114.768 1.396 . . . . 50.0 114.768 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -89.26 103.51 16.13 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 106.122 -1.807 . . . . 50.0 106.122 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -77.38 98.12 5.14 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.096 -0.956 . . . . 50.0 110.343 -173.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.47 -0.776 . . . . 25.0 110.22 179.541 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 CA-C-O 119.247 -0.752 . . . . 25.0 111.844 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -179.42 0.74 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 117.55 0.675 . . . . 25.0 110.913 175.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -61.42 -45.02 96.08 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.345 0.593 . . . . 75.0 110.589 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.64 -40.28 92.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.195 0.997 . . . . 50.0 109.807 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -69.05 -35.67 76.82 Favored 'General case' 0 C--N 1.314 -0.95 0 O-C-N 121.536 -0.727 . . . . 50.0 111.957 -175.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -73.06 -29.73 63.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.3 86.7 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 173.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.8 mmm -73.27 -31.03 63.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.683 0.994 . . . . 50.0 113.683 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -71.7 -24.95 61.9 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.689 -0.856 . . . . 50.0 108.689 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.1 m -66.23 -43.29 87.07 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.165 -0.334 . . . . 25.0 110.157 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.82 -33.68 73.39 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.052 -0.722 . . . . 50.0 109.052 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 69.7 mt -66.24 -47.28 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.156 -0.683 . . . . 50.0 109.156 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -58.39 -50.13 74.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.383 0.611 . . . . 75.0 110.319 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.06 -43.49 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.444 -0.798 . . . . 50.0 112.03 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -59.36 -47.35 85.75 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.676 -0.64 . . . . 50.0 109.733 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -73.85 -14.23 61.05 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.016 1.117 . . . . 50.0 114.016 -174.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.31 93.98 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 174.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -99.39 -17.1 18.16 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.413 0.894 . . . . 25.0 113.413 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.5 p -63.5 164.84 8.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.029 0.752 . . . . 25.0 113.029 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.72 0.88 66.25 Favored Glycine 0 C--O 1.227 -0.304 0 N-CA-C 114.814 0.686 . . . . 25.0 114.814 177.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -61.89 -33.81 74.89 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.241 -0.651 . . . . 50.0 109.241 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -103.58 40.74 1.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 116.049 1.87 . . . . 50.0 116.049 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.06 -30.68 3.23 Favored Glycine 0 C--N 1.306 -1.102 0 N-CA-C 117.748 1.859 . . . . 50.0 117.748 172.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -109.5 125.57 52.61 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 107.537 -1.283 . . . . 50.0 107.537 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -74.46 -18.48 60.63 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -173.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.65 6.53 48.72 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.778 -0.576 . . . . 50.0 109.6 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -124.42 164.59 19.36 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.721 -0.672 . . . . 50.0 110.95 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -148.86 135.37 19.53 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.817 -1.549 . . . . 50.0 106.817 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.415 ' HB2' ' HD3' ' B' ' 31' ' ' LYS . 0.2 OUTLIER -65.94 150.79 48.08 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.135 -0.691 . . . . 50.0 109.135 178.239 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -62.73 -39.3 93.66 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 113.772 1.027 . . . . 50.0 113.772 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -67.1 -29.39 69.12 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.95 1.25 . . . . 50.0 109.325 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -79.93 -24.57 40.97 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.307 -0.86 . . . . 50.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 tp -66.43 -35.63 80.77 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 121.263 0.554 . . . . 50.0 109.645 175.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -60.72 -32.58 71.83 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-N 116.216 -0.447 . . . . 50.0 110.496 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -62.17 -47.37 84.83 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.993 -0.743 . . . . 50.0 108.993 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.67 -46.78 88.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.653 0.74 . . . . 50.0 109.158 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mp -63.73 -31.8 73.09 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 115.734 -0.666 . . . . 50.0 111.369 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -81.05 -22.7 39.1 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.976 -0.452 . . . . 50.0 111.054 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 62.6 m -88.68 -51.6 5.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.774 -0.648 . . . . 25.0 111.548 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -95.57 -44.14 7.63 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.842 0.682 . . . . 50.0 112.842 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 tp -84.64 9.83 12.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.727 0.775 . . . . 50.0 109.943 -178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.5 -34.91 26.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 115.125 1.528 . . . . 50.0 115.125 175.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.9 63.46 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.269 -0.967 . . . . 50.0 111.222 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -70.8 -25.53 62.91 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.04 -0.683 . . . . 50.0 109.357 176.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.2 mt -76.86 -39.62 50.51 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 117.059 -0.064 . . . . 50.0 111.045 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.66 -36.58 80.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.722 0.772 . . . . 50.0 110.601 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.96 29.76 5.24 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.748 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -62.57 159.8 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.101 -0.5 . . . . 50.0 110.013 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.417 ' HZ1' ' CD ' ' B' ' 91' ' ' GLU . 12.4 mmmm -135.4 -52.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.519 -0.31 . . . . 50.0 110.956 177.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -79.06 91.16 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.807 -0.812 . . . . 50.0 108.807 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.8 -26.8 37.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.381 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.05 -42.82 56.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.5 -0.556 . . . . 50.0 109.5 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.42 55.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 -176.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.48 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.406 -0.961 . . . . 50.0 108.406 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -80.53 -27.34 37.64 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 116.061 -0.518 . . . . 50.0 111.393 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -38.19 68.15 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 176.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.1 t -74.46 -43.4 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.316 0.579 . . . . 50.0 109.674 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.7 mmt -70.27 -50.5 38.91 Favored 'General case' 0 CA--C 1.496 -1.121 0 N-CA-C 112.826 0.676 . . . . 50.0 112.826 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -35.89 81.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.102 -0.333 . . . . 50.0 110.102 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.25 -47.42 86.13 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.298 -0.561 . . . . 50.0 109.593 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.12 -21.69 53.81 Favored 'General case' 0 C--O 1.204 -1.342 0 C-N-CA 119.316 -0.953 . . . . 50.0 110.342 -175.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.75 -28.08 68.44 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.984 0.421 . . . . 25.0 111.16 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -108.06 -15.55 14.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.313 0.578 . . . . 50.0 111.616 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -102.64 13.68 33.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.483 0.659 . . . . 50.0 109.335 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.08 -18.65 60.49 Favored Glycine 0 C--O 1.221 -0.686 0 N-CA-C 115.587 0.995 . . . . 25.0 115.587 -169.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.98 5.34 51.42 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.776 0.798 . . . . 25.0 111.328 -171.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.49 -160.39 36.29 Favored Glycine 0 N--CA 1.416 -2.669 1 N-CA-C 102.803 -4.119 . . . . 50.0 102.803 171.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.73 161.24 42.61 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 122.3 -0.529 . . . . 50.0 109.88 -175.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 m -135.56 165.62 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 114.47 -1.241 . . . . 50.0 109.543 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -118.67 -174.26 2.65 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 105.93 -1.878 . . . . 50.0 105.93 175.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -52.43 -47.22 66.51 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.808 0.67 . . . . 50.0 112.808 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -54.22 -47.57 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.177 0.444 . . . . 50.0 111.395 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -44.65 65.56 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.998 0.904 . . . . 50.0 109.602 -175.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -39.68 73.01 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.964 -1.016 . . . . 50.0 110.376 -178.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.7 t -72.18 -36.87 57.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 122.426 -0.172 . . . . 50.0 110.891 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.85 -44.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.317 0.58 . . . . 50.0 109.839 177.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.6 mt -69.57 -37.39 76.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.175 0.512 . . . . 50.0 110.356 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 t -63.12 -42.66 97.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.968 -0.56 . . . . 50.0 109.597 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.34 85.26 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.988 -0.445 . . . . 25.0 110.671 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.88 98.22 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.174 0.511 . . . . 25.0 110.363 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.52 -35.61 75.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.516 0.674 . . . . 50.0 109.852 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 63.0 m -62.1 -42.9 99.68 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.05 -0.406 . . . . 25.0 111.39 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.88 -23.86 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 121.292 -0.88 . . . . 50.0 112.053 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.21 -28.88 69.09 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 122.605 1.193 . . . . 25.0 109.121 172.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -94.78 -10.43 31.53 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.0 2.12 . . . . 25.0 113.284 -175.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.0 -20.67 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 116.467 2.025 . . . . 25.0 116.467 -170.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -49.3 -20.5 0.66 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.752 1.39 . . . . 50.0 114.752 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -58.57 -28.84 65.91 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.658 -0.651 . . . . 50.0 110.786 174.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -111.3 7.36 21.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.869 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.417 ' CD ' ' HZ1' ' B' ' 49' ' ' LYS . 29.3 tt0 -140.05 113.17 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.25 0.547 . . . . 50.0 112.264 -176.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.12 81.83 8.63 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.397 -0.964 . . . . 50.0 108.397 176.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.035 -0.983 . . . . 25.0 110.598 177.762 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.642 0 CA-C-O 119.505 -0.608 . . . . 25.0 111.884 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -179.3 0.86 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 117.346 0.573 . . . . 25.0 110.538 174.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -62.42 -46.41 88.68 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.419 0.628 . . . . 75.0 110.652 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.58 -40.05 94.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.96 0.886 . . . . 50.0 109.661 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -69.64 -35.29 75.08 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.831 -0.543 . . . . 50.0 112.305 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -73.84 -29.66 62.25 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.36 93.98 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 108.015 -1.106 . . . . 25.0 108.015 173.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.2 mmm -72.22 -32.65 66.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.739 1.014 . . . . 50.0 113.739 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.37 -23.8 61.97 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.844 -0.798 . . . . 50.0 108.844 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.2 m -65.57 -42.8 91.36 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.456 -0.338 . . . . 25.0 110.567 171.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.96 -35.01 74.06 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.935 -0.765 . . . . 50.0 108.935 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.06 -43.51 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.715 -0.476 . . . . 50.0 109.715 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.42 -45.22 94.4 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.547 0.689 . . . . 50.0 110.757 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.59 -44.57 96.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.537 -0.756 . . . . 50.0 111.14 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.01 -43.42 98.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.642 -0.661 . . . . 50.0 110.16 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -61.02 -25.3 66.81 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.496 0.718 . . . . 50.0 112.164 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.55 99.48 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.814 -0.554 . . . . 25.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -103.15 -18.07 15.09 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -65.72 166.47 10.83 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.86 1.059 . . . . 25.0 113.86 -174.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.54 2.93 43.82 Favored Glycine 0 C--O 1.221 -0.687 0 C-N-CA 121.103 -0.57 . . . . 25.0 112.301 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -65.5 -32.2 73.68 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 120.85 0.357 . . . . 50.0 110.964 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -75.79 -29.81 58.87 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.924 0.869 . . . . 50.0 110.203 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.73 -30.73 5.62 Favored Glycine 0 C--N 1.322 -0.199 0 N-CA-C 108.722 -1.751 . . . . 50.0 108.722 -175.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -88.27 136.7 32.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 106.165 -1.791 . . . . 50.0 106.165 172.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -81.91 -17.7 46.25 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -173.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -84.54 4.91 29.84 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 122.209 -0.307 . . . . 50.0 110.356 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -125.74 145.06 50.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.391 0.615 . . . . 50.0 112.634 -177.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.19 129.56 17.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.625 -1.25 . . . . 50.0 107.625 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.2 m -63.58 144.66 56.82 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.234 0.457 . . . . 50.0 112.234 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -61.03 -47.4 86.56 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.599 0.963 . . . . 50.0 113.599 -173.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -31.43 67.08 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 120.88 0.371 . . . . 50.0 111.821 178.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -76.3 -29.81 57.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.446 0.641 . . . . 50.0 109.388 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.22 -27.14 66.12 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 121.889 -0.507 . . . . 50.0 111.694 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -62.1 -30.59 71.12 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.012 -0.675 . . . . 50.0 110.36 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -66.97 -47.37 71.78 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.796 -0.816 . . . . 50.0 108.796 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.36 -44.08 95.93 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.946 -0.57 . . . . 50.0 109.606 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.0 mt -63.54 -28.71 70.13 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 121.084 0.469 . . . . 50.0 111.519 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -81.7 -22.49 37.38 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 122.009 -0.432 . . . . 50.0 111.604 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.2 m -97.19 -52.79 3.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.676 -0.693 . . . . 25.0 112.843 -174.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -89.09 -31.33 18.08 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 121.096 0.474 . . . . 50.0 112.074 -177.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 tp -100.57 11.89 38.51 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.623 0.725 . . . . 50.0 109.811 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -42.09 24.83 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 116.128 1.899 . . . . 50.0 116.128 175.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.39 -30.08 61.0 Favored Glycine 0 C--O 1.226 -0.367 0 N-CA-C 110.944 -0.862 . . . . 50.0 110.944 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -71.46 -31.6 67.35 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.48 -0.933 . . . . 50.0 108.48 174.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.5 -40.42 77.0 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.878 -0.416 . . . . 50.0 109.878 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.62 -34.41 78.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.568 0.699 . . . . 50.0 111.348 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.99 28.71 4.22 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 116.026 -0.534 . . . . 25.0 110.124 -177.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.57 154.26 36.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.076 -0.713 . . . . 50.0 109.076 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -129.25 -50.41 1.19 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.428 0.633 . . . . 50.0 109.668 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -83.57 80.84 8.98 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.681 -1.229 . . . . 50.0 107.681 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.34 -23.75 33.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 114.985 -1.007 . . . . 50.0 112.422 -175.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.68 -40.81 61.18 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.387 -0.525 . . . . 50.0 110.039 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.45 -35.91 53.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.843 -0.535 . . . . 25.0 112.133 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -61.64 -37.4 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.007 -1.108 . . . . 50.0 108.007 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.83 -32.2 63.58 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 114.273 -1.331 . . . . 50.0 111.17 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -32.1 72.32 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.407 -0.517 . . . . 25.0 111.866 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -70.67 -42.46 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 107.699 -1.222 . . . . 50.0 107.699 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 mmt -66.46 -48.0 71.32 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 115.071 -0.968 . . . . 50.0 112.444 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -38.07 88.33 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.122 -0.49 . . . . 50.0 110.69 -179.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -60.87 -45.79 93.16 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 109.301 -0.629 . . . . 50.0 109.301 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.68 -23.27 45.73 Favored 'General case' 0 C--O 1.201 -1.476 0 C-N-CA 118.65 -1.22 . . . . 50.0 109.25 -172.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.65 -21.65 65.36 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.938 -0.476 . . . . 25.0 112.085 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.29 -25.11 14.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.457 0.646 . . . . 50.0 110.48 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -96.97 13.29 29.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.037 0.923 . . . . 50.0 109.577 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.87 35.93 2.7 Favored Glycine 0 CA--C 1.496 -1.101 0 CA-C-N 115.048 -0.978 . . . . 25.0 113.432 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -115.44 -26.91 7.36 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 172.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.59 -156.66 32.72 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 108.853 -1.699 . . . . 50.0 108.853 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.544 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 7.8 mp0 -141.54 158.62 43.61 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 113.66 -1.27 . . . . 50.0 110.243 -173.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.01 172.9 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 114.673 -1.149 . . . . 50.0 109.286 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -116.03 -174.53 2.56 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.401 -1.333 . . . . 50.0 107.401 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -53.97 -46.53 71.68 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 113.045 0.757 . . . . 50.0 113.045 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -55.44 -45.6 76.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 118.382 0.537 . . . . 50.0 111.058 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -74.25 -37.69 63.7 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.969 0.89 . . . . 50.0 110.059 -174.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -39.19 83.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.455 -0.793 . . . . 50.0 109.032 178.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 76.4 t -72.9 -36.54 52.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 122.439 -0.163 . . . . 50.0 110.805 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.2 t -57.36 -46.74 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 109.286 -0.635 . . . . 50.0 109.286 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.8 -37.64 79.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.066 0.46 . . . . 50.0 111.184 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 t -63.41 -44.91 99.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.788 -0.449 . . . . 50.0 109.788 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.25 84.19 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.91 -0.494 . . . . 25.0 110.177 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.88 95.08 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.075 0.464 . . . . 25.0 110.639 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.91 -36.11 75.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.133 0.492 . . . . 50.0 109.741 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.2 m -63.98 -43.4 95.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.361 -0.382 . . . . 25.0 111.763 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.01 -23.68 31.19 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 O-C-N 121.48 -0.762 . . . . 50.0 112.715 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.67 -5.38 1.87 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 121.492 0.663 . . . . 25.0 111.976 171.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -73.38 -15.7 61.36 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.54 1.311 . . . . 25.0 114.54 -170.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -57.15 -21.09 30.26 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.548 0.613 . . . . 25.0 111.816 176.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -59.19 -16.98 23.59 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.025 0.75 . . . . 50.0 113.025 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.42 -31.14 67.44 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.238 0.542 . . . . 75.0 110.187 173.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -102.15 16.88 24.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.379 0.511 . . . . 50.0 112.379 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -108.9 103.48 12.54 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.288 0.566 . . . . 50.0 109.761 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.7 78.39 9.6 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.204 -1.406 . . . . 50.0 107.204 175.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.056 -0.973 . . . . 25.0 110.307 176.423 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 CA-C-O 119.438 -0.646 . . . . 25.0 111.868 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.69 173.83 4.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 174.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -59.84 -44.76 93.91 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.28 0.562 . . . . 75.0 111.246 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.9 -39.57 90.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.832 0.825 . . . . 50.0 110.141 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.63 -38.45 89.43 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.495 -0.753 . . . . 50.0 111.223 -177.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.8 p -72.54 -27.89 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.165 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.8 80.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 174.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.6 mmm -71.58 -31.82 67.38 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.149 0.796 . . . . 50.0 113.149 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.08 -28.47 67.39 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.053 -0.721 . . . . 50.0 109.053 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.9 m -65.86 -43.19 89.13 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 122.116 -0.365 . . . . 25.0 110.327 172.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.02 -36.02 80.31 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.805 -0.813 . . . . 50.0 108.805 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.9 mt -66.55 -47.7 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 109.337 -0.616 . . . . 50.0 109.337 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -57.6 -50.94 71.5 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.253 0.549 . . . . 75.0 111.262 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.76 -34.02 58.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-N 115.841 -0.618 . . . . 50.0 112.141 -175.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.26 -45.66 92.32 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.224 -0.922 . . . . 50.0 109.074 171.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -67.59 -16.54 64.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.484 -0.78 . . . . 50.0 112.652 -176.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.85 -42.67 73.24 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.623 -0.673 . . . . 25.0 110.757 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -95.8 -12.37 25.41 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 82.3 p -64.39 160.22 19.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.649 0.738 . . . . 25.0 111.684 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.2 1.69 69.29 Favored Glycine 0 C--O 1.221 -0.662 0 C-N-CA 120.583 -0.817 . . . . 25.0 114.577 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -59.31 -39.05 81.85 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 117.636 0.718 . . . . 50.0 109.328 176.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -77.4 -25.96 51.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.74 -1.118 . . . . 50.0 112.879 -176.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.3 -31.05 4.13 Favored Glycine 0 C--N 1.321 -0.257 0 CA-C-N 115.607 -0.724 . . . . 50.0 113.538 -176.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -93.92 124.68 38.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.5 -1.667 . . . . 50.0 106.5 173.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -77.25 -13.76 59.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -172.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -96.39 8.16 44.7 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.789 -0.57 . . . . 50.0 109.509 176.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -128.59 160.17 33.23 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.995 -0.548 . . . . 50.0 110.632 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.21 136.02 29.49 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 106.113 -1.81 . . . . 50.0 106.113 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.55 150.93 45.6 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.857 -0.794 . . . . 50.0 108.857 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -63.68 -42.29 98.06 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 113.937 1.088 . . . . 50.0 113.937 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -29.92 71.0 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.038 -1.039 . . . . 50.0 109.678 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -80.56 -24.08 39.49 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.551 -0.749 . . . . 50.0 110.365 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.25 -36.6 83.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.703 -0.623 . . . . 50.0 109.633 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -61.2 -32.76 72.53 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.288 -0.415 . . . . 50.0 110.394 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -62.58 -47.65 82.88 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.912 -0.773 . . . . 50.0 108.912 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.15 -46.48 88.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.665 0.745 . . . . 50.0 109.343 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mp -64.17 -32.33 73.87 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.683 -0.69 . . . . 50.0 111.698 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.9 -22.32 36.9 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.828 -0.545 . . . . 50.0 110.834 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 66.4 m -86.75 -50.54 6.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.852 -0.613 . . . . 25.0 111.323 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.87 -45.08 6.44 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.609 0.966 . . . . 50.0 113.609 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.0 tp -83.75 9.32 12.11 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.643 0.735 . . . . 50.0 109.743 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -37.0 43.4 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 114.946 1.462 . . . . 50.0 114.946 175.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.02 -37.17 73.46 Favored Glycine 0 C--O 1.229 -0.194 0 C-N-CA 120.33 -0.938 . . . . 50.0 110.818 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -71.01 -30.0 66.11 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.883 -0.775 . . . . 50.0 109.308 176.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.99 -41.16 78.22 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.844 -0.428 . . . . 50.0 109.844 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -67.39 -32.94 74.18 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.468 0.652 . . . . 50.0 111.559 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.68 29.39 4.52 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 116.06 -0.518 . . . . 25.0 110.502 -176.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -64.86 153.6 39.71 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.446 -0.576 . . . . 50.0 109.446 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -124.95 -53.21 1.65 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.295 -0.631 . . . . 50.0 109.295 175.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -81.05 84.25 6.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.686 0.755 . . . . 50.0 109.373 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.9 m -62.51 -23.78 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.11 -0.95 . . . . 50.0 112.614 -175.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.422 ' CG ' ' HZ2' ' B' ' 56' ' ' LYS . 17.0 t70 -75.56 -39.08 58.68 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.884 -0.51 . . . . 50.0 110.28 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.76 -38.53 58.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.774 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -63.22 -37.61 79.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 122.061 0.934 . . . . 50.0 108.621 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -76.02 -30.47 58.5 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.797 -1.092 . . . . 50.0 111.327 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.422 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -62.51 -36.0 81.17 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.547 -0.461 . . . . 25.0 111.594 -179.136 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.02 -43.03 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 122.195 0.998 . . . . 50.0 108.765 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.5 mmt -68.54 -49.59 58.36 Favored 'General case' 0 CA--C 1.493 -1.238 0 CA-C-N 115.122 -0.945 . . . . 50.0 112.766 -175.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -35.08 79.59 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 123.101 0.251 . . . . 50.0 110.341 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.19 -48.42 81.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.915 -0.772 . . . . 50.0 108.915 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.69 -19.55 48.68 Favored 'General case' 0 C--O 1.21 -1.001 0 C-N-CA 119.354 -0.938 . . . . 50.0 111.357 -174.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -60.29 -28.93 68.49 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.082 0.468 . . . . 25.0 111.102 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -108.19 -22.07 12.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.333 0.587 . . . . 50.0 111.804 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -96.93 14.04 26.8 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.614 0.721 . . . . 50.0 110.29 178.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.17 -21.85 59.97 Favored Glycine 0 C--O 1.22 -0.762 0 N-CA-C 115.412 0.925 . . . . 25.0 115.412 -171.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.65 4.65 50.8 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.831 0.824 . . . . 25.0 110.617 -172.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.28 -157.53 33.53 Favored Glycine 0 N--CA 1.418 -2.554 0 N-CA-C 104.259 -3.536 . . . . 50.0 104.259 172.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -152.36 168.25 26.06 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 122.23 -0.571 . . . . 50.0 109.513 -174.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.66 167.16 18.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.135 -0.938 . . . . 50.0 109.124 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -119.64 -174.33 2.72 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 105.595 -2.002 . . . . 50.0 105.595 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -52.79 -47.74 67.37 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 113.279 0.844 . . . . 50.0 113.279 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -53.94 -47.5 71.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.392 0.542 . . . . 50.0 110.99 -177.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -71.89 -44.5 63.64 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 121.834 0.826 . . . . 50.0 109.057 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -40.39 72.22 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.129 -0.941 . . . . 50.0 110.188 -178.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -72.75 -38.11 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 122.28 -0.263 . . . . 50.0 111.194 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.73 -43.32 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.155 0.502 . . . . 50.0 109.699 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.84 -35.91 75.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.091 0.472 . . . . 50.0 110.831 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.3 t -64.56 -43.04 96.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 109.417 -0.586 . . . . 50.0 109.417 175.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.61 79.88 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.904 -0.498 . . . . 25.0 111.098 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.66 98.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.367 0.603 . . . . 25.0 110.207 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.17 -35.64 76.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.207 0.527 . . . . 50.0 109.81 177.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.2 m -63.86 -43.79 95.04 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.873 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.6 m -70.45 -23.83 24.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 O-C-N 121.548 -0.72 . . . . 50.0 111.992 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.19 -4.22 4.82 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 121.598 0.713 . . . . 25.0 111.836 172.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -72.12 -13.91 61.69 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.781 1.632 . . . . 25.0 115.064 -172.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -42.43 -18.57 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 117.42 2.378 . . . . 25.0 117.42 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -41.49 -21.4 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 117.448 2.388 . . . . 50.0 117.448 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -57.93 -29.02 64.81 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.072 -1.017 . . . . 50.0 110.856 174.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -115.27 4.42 14.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.865 -0.607 . . . . 50.0 111.694 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -134.26 110.16 9.33 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.902 0.704 . . . . 50.0 112.902 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -89.21 78.42 7.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.339 -1.726 . . . . 50.0 106.339 167.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 C--O 1.248 0.977 0 CA-C-O 116.179 -1.867 . . . . 25.0 107.149 179.621 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.536 0 CA-C-O 119.228 -0.762 . . . . 25.0 111.692 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.69 175.19 2.48 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.852 -0.795 . . . . 25.0 108.852 172.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.5 -40.27 93.97 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.443 0.639 . . . . 75.0 112.262 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.69 -39.37 88.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 122.244 1.021 . . . . 50.0 108.818 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -70.08 -35.66 74.35 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 121.615 -0.678 . . . . 50.0 111.905 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.9 p -72.25 -31.26 65.64 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 176.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.86 83.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 174.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.8 mmm -71.71 -31.71 67.02 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.52 0.933 . . . . 50.0 113.52 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.66 -27.54 65.12 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.586 -0.696 . . . . 50.0 109.208 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.6 m -62.89 -44.2 96.75 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.878 0.371 . . . . 25.0 110.002 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.37 -37.07 84.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.806 -0.442 . . . . 50.0 109.806 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.29 -47.74 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.544 -0.539 . . . . 50.0 109.544 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.6 -50.17 74.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.183 0.516 . . . . 50.0 111.526 -176.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.02 -34.87 66.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 115.867 -0.606 . . . . 50.0 111.763 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -62.1 -43.78 98.1 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.203 -0.935 . . . . 50.0 109.538 172.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -67.89 -14.45 62.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.683 0.994 . . . . 50.0 113.683 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.73 82.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 120.811 -0.355 . . . . 25.0 110.779 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -96.24 -15.2 22.14 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.942 0.401 . . . . 25.0 111.88 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.2 p -63.57 154.87 31.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.474 0.654 . . . . 25.0 111.302 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.36 -4.66 67.18 Favored Glycine 0 CA--C 1.506 -0.502 0 C-N-CA 120.766 -0.731 . . . . 25.0 111.351 -176.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -58.97 -28.06 65.97 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 109.915 -0.402 . . . . 50.0 109.915 175.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -115.5 40.77 2.64 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.795 1.406 . . . . 50.0 114.795 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.37 -30.43 3.72 Favored Glycine 0 C--N 1.308 -1.024 0 N-CA-C 117.515 1.766 . . . . 50.0 117.515 171.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -108.19 129.39 55.19 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.358 -0.979 . . . . 50.0 108.358 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -75.82 -14.32 60.29 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 114.189 1.181 . . . . 25.0 114.189 -173.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -102.1 8.63 40.73 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.535 -0.543 . . . . 50.0 109.535 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -127.74 156.76 41.92 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.76 -0.655 . . . . 50.0 110.306 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.47 136.62 29.61 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 105.86 -1.904 . . . . 50.0 105.86 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.15 149.63 49.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.316 0.507 . . . . 50.0 110.18 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.89 -44.16 90.53 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.409 0.522 . . . . 50.0 112.409 -176.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -30.23 71.1 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.83 0.741 . . . . 50.0 110.459 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -76.85 -29.51 55.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.433 -0.803 . . . . 50.0 109.442 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.4 tp -68.58 -28.94 67.39 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.68 -0.637 . . . . 50.0 110.839 176.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -59.17 -33.67 71.2 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.07 -0.652 . . . . 50.0 110.224 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.64 -48.99 72.81 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.493 -0.558 . . . . 50.0 109.493 177.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.46 -43.46 93.21 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 121.338 0.59 . . . . 50.0 109.605 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.61 -32.73 74.29 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 121.179 0.514 . . . . 50.0 111.811 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -81.69 -22.43 37.45 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.845 -0.534 . . . . 50.0 111.778 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.0 m -101.55 -51.08 3.55 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -174.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -88.29 -38.01 15.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.952 0.406 . . . . 50.0 111.022 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.7 tp -93.01 8.66 38.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.428 -0.953 . . . . 50.0 108.428 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -45.92 -41.15 11.13 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 115.62 1.711 . . . . 50.0 115.62 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.16 -27.83 73.58 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.025 -1.083 . . . . 50.0 112.344 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -75.83 -28.09 58.12 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.599 -0.942 . . . . 50.0 109.409 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.53 -37.03 63.17 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 118.398 0.545 . . . . 50.0 110.163 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.25 -32.02 73.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.789 0.804 . . . . 50.0 109.97 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.1 28.06 8.41 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.45 -0.795 . . . . 25.0 111.433 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -61.89 152.82 30.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.417 -0.586 . . . . 50.0 109.417 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -125.76 -48.22 1.65 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.749 -0.463 . . . . 50.0 109.749 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -83.82 90.09 7.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.258 0.552 . . . . 50.0 109.893 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.22 -25.76 36.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.919 -0.582 . . . . 50.0 111.725 -176.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -76.63 -45.14 31.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.049 -0.722 . . . . 50.0 109.049 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.61 -38.26 67.85 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.14 -40.89 89.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.594 -0.891 . . . . 50.0 108.594 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -80.22 -30.72 38.62 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 116.1 -0.5 . . . . 50.0 111.5 -175.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.78 -35.6 68.88 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.304 -0.407 . . . . 25.0 110.631 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.5 t -77.1 -41.89 31.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.488 0.661 . . . . 50.0 109.398 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 mmt -68.06 -51.75 43.08 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 112.577 0.584 . . . . 50.0 112.577 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -34.3 77.76 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.882 -0.327 . . . . 50.0 110.32 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.16 -43.77 97.35 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.928 -0.483 . . . . 50.0 110.278 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.28 -23.25 47.29 Favored 'General case' 0 C--O 1.21 -1.012 0 C-N-CA 119.139 -1.024 . . . . 50.0 110.835 -178.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.52 -28.14 63.22 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.408 0.522 . . . . 25.0 112.408 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -107.4 -20.56 13.23 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.514 0.673 . . . . 50.0 111.718 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -97.56 13.67 29.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.57 0.7 . . . . 50.0 109.682 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.93 -12.11 70.74 Favored Glycine 0 C--O 1.216 -0.974 0 N-CA-C 117.614 1.806 . . . . 25.0 117.614 -167.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -91.12 6.9 43.12 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 122.003 0.906 . . . . 25.0 111.068 -170.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.61 -159.67 33.83 Favored Glycine 0 N--CA 1.416 -2.634 0 N-CA-C 103.725 -3.75 . . . . 50.0 103.725 174.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -148.86 165.13 32.42 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 122.312 -0.522 . . . . 50.0 110.168 -174.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.91 168.94 17.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.571 -0.74 . . . . 50.0 109.638 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -117.0 -174.1 2.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.937 -1.505 . . . . 50.0 106.937 177.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -53.11 -47.71 68.42 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 113.33 0.863 . . . . 50.0 113.33 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -54.21 -46.11 72.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.36 0.527 . . . . 50.0 110.77 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -77.67 -35.32 52.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.906 0.86 . . . . 50.0 110.746 -173.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -39.63 88.79 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.798 -0.816 . . . . 50.0 108.798 177.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 71.7 t -71.49 -36.17 59.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.686 -0.234 . . . . 50.0 110.522 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.8 t -57.44 -45.38 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 109.13 -0.692 . . . . 50.0 109.13 177.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.0 mt -69.79 -38.51 76.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.86 0.362 . . . . 50.0 111.638 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.9 t -63.48 -43.84 98.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.904 -0.406 . . . . 50.0 109.904 177.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.94 77.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.774 -0.579 . . . . 25.0 111.056 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.15 90.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.281 0.562 . . . . 25.0 110.115 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.16 -34.42 68.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.344 0.592 . . . . 50.0 110.169 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.8 m -64.42 -41.0 96.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.462 -0.336 . . . . 25.0 111.5 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.9 m -69.12 -23.96 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.04 -1.038 . . . . 50.0 112.425 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.34 -4.84 6.01 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.621 0.724 . . . . 25.0 111.119 171.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -68.14 -15.44 63.59 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.699 -1.25 . . . . 25.0 112.696 -173.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.25 -22.87 54.09 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.543 -0.54 . . . . 25.0 109.543 176.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -54.98 -29.2 56.53 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 114.012 1.116 . . . . 50.0 114.012 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' HB3' ' CE2' ' B' ' 26' ' ' TYR . 31.6 m-85 -80.16 -0.06 34.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 120.928 -1.108 . . . . 75.0 111.454 -177.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -122.79 6.75 9.37 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.059 0.762 . . . . 50.0 113.059 -176.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.55 145.86 22.94 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.335 -1.357 . . . . 50.0 107.335 -179.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -93.88 77.98 4.18 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.023 -0.732 . . . . 50.0 109.023 176.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.244 0.81 0 CA-C-O 117.466 -1.254 . . . . 25.0 109.6 175.687 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.84 0 N-CA-C 111.9 -0.48 . . . . 25.0 111.9 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -105.55 177.3 4.89 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.014 -1.476 . . . . 25.0 107.014 176.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -60.39 -30.23 69.45 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 110.289 -0.263 . . . . 75.0 110.289 173.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.68 -41.92 87.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.394 0.616 . . . . 50.0 109.77 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -66.23 -39.22 89.4 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.709 -0.396 . . . . 50.0 111.294 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.1 p -76.14 -29.1 57.68 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 110.125 -0.324 . . . . 25.0 110.125 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.96 90.21 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 173.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.4 mmm -70.51 -32.42 69.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.34 0.496 . . . . 50.0 112.34 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -29.89 69.02 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.697 -0.483 . . . . 50.0 109.697 178.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -62.93 -43.46 98.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.573 -0.528 . . . . 25.0 109.573 174.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.7 -38.7 88.82 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.677 -0.86 . . . . 50.0 108.677 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -64.19 -48.34 86.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 C-N-CA 120.313 -0.555 . . . . 50.0 109.826 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -57.89 -41.76 83.24 Favored 'General case' 0 CA--C 1.448 -2.956 0 N-CA-C 113.814 1.042 . . . . 75.0 113.814 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.31 -43.76 84.21 Favored 'Isoleucine or valine' 0 C--N 1.389 2.304 0 O-C-N 120.885 -1.135 . . . . 50.0 110.461 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -62.46 -43.05 99.76 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 122.04 0.924 . . . . 50.0 109.915 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -64.54 -22.67 67.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.11 -0.95 . . . . 50.0 112.436 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.56 -40.45 95.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.645 -0.422 . . . . 25.0 111.989 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -90.29 -23.48 21.17 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.159 -0.311 . . . . 25.0 110.159 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.6 m -56.8 137.25 55.02 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.106 -0.702 . . . . 25.0 109.106 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.72 -12.78 42.33 Favored Glycine 0 C--N 1.323 -0.194 0 C-N-CA 120.469 -0.872 . . . . 25.0 113.98 -176.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -57.85 -36.7 72.69 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.06 0.93 . . . . 50.0 108.821 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -104.57 41.53 1.31 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 115.474 1.657 . . . . 50.0 115.474 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.29 -30.84 2.68 Favored Glycine 0 C--N 1.307 -1.028 0 N-CA-C 118.619 2.208 . . . . 50.0 118.619 171.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -101.77 128.97 47.88 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 107.523 -1.288 . . . . 50.0 107.523 176.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -28.13 62.7 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.128 1.159 . . . . 25.0 114.128 -169.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 89' ' ' PHE . 10.5 m-30 -107.89 12.11 27.44 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.919 0.39 . . . . 50.0 110.508 -175.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -128.13 162.59 26.57 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 108.29 -1.004 . . . . 50.0 108.29 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.15 139.92 24.98 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.901 -0.778 . . . . 50.0 108.901 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.37 157.05 34.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.04 0.448 . . . . 50.0 111.895 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -66.34 -41.27 89.82 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 113.208 0.818 . . . . 50.0 113.208 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -29.5 69.49 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.224 0.92 . . . . 50.0 109.389 -176.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.98 -32.21 65.04 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.506 -1.225 . . . . 50.0 110.479 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 14.1 tp -64.66 -29.07 70.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 50.0 110.766 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -64.22 -36.31 83.65 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.667 -0.413 . . . . 50.0 110.013 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.66 -45.38 83.17 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.612 -0.884 . . . . 50.0 108.612 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.42 -46.85 87.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.303 0.573 . . . . 50.0 110.212 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mp -65.53 -29.3 69.92 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 121.184 0.516 . . . . 50.0 111.359 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -81.8 -22.29 37.2 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 121.908 -0.495 . . . . 50.0 110.476 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 57.9 m -88.46 -50.54 6.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.712 -0.676 . . . . 25.0 111.472 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -93.66 -44.88 7.96 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.285 0.846 . . . . 50.0 113.285 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tp -84.83 9.08 15.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.561 0.696 . . . . 50.0 110.173 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -36.56 15.21 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 115.342 1.608 . . . . 50.0 115.342 175.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.34 -35.41 60.14 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 120.424 -0.893 . . . . 50.0 111.476 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -72.65 -29.17 63.22 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.83 -0.806 . . . . 50.0 108.862 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mt -69.78 -39.06 76.87 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 110.013 -0.366 . . . . 50.0 110.013 176.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.05 -33.08 73.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.644 0.735 . . . . 50.0 110.939 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.84 26.18 5.35 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.808 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -63.45 157.73 22.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.354 -0.384 . . . . 50.0 110.657 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -134.32 -54.48 0.85 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.607 -0.27 . . . . 50.0 110.511 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -78.96 86.91 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.229 -1.026 . . . . 50.0 108.229 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -63.53 -28.83 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 50.0 111.029 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.95 -41.03 78.59 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 121.094 0.473 . . . . 50.0 109.791 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.48 -36.45 33.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.754 -175.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 p -66.88 -40.6 86.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.759 -0.83 . . . . 50.0 108.759 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -80.29 -29.29 38.21 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 109.673 -0.492 . . . . 50.0 109.673 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -56.38 -46.65 79.98 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-O 118.848 -0.596 . . . . 25.0 109.835 174.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.86 -40.76 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 119.087 0.858 . . . . 50.0 108.952 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.1 mmt -69.19 -48.65 61.54 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 115.726 -0.67 . . . . 50.0 112.483 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -37.14 84.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.507 0.194 . . . . 50.0 110.509 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.25 -41.92 97.73 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.508 -0.553 . . . . 50.0 109.508 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.42 -24.45 36.89 Favored 'General case' 0 C--O 1.204 -1.331 0 C-N-CA 118.794 -1.162 . . . . 50.0 111.895 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.93 -29.86 65.48 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -102.48 -20.26 14.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.659 0.742 . . . . 50.0 110.799 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -96.83 12.81 30.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.44 -0.8 . . . . 50.0 108.933 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.11 -21.52 66.03 Favored Glycine 0 C--O 1.222 -0.615 0 N-CA-C 115.46 0.944 . . . . 25.0 115.46 -169.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.91 4.23 50.62 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.839 0.828 . . . . 25.0 110.207 -174.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.09 -154.93 30.41 Favored Glycine 0 N--CA 1.421 -2.322 0 N-CA-C 104.48 -3.448 . . . . 50.0 104.48 172.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -150.25 171.01 17.64 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 121.983 -0.716 . . . . 50.0 110.344 -174.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.99 168.59 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.559 -1.2 . . . . 50.0 108.569 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -125.37 -174.04 2.97 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 104.864 -2.272 . . . . 50.0 104.864 173.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -54.13 -49.03 70.12 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.606 0.965 . . . . 50.0 113.606 177.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -55.27 -44.15 75.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.138 0.426 . . . . 50.0 111.026 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.51 -49.02 67.93 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 122.341 1.067 . . . . 50.0 108.649 -175.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -38.83 83.23 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.565 -1.198 . . . . 50.0 111.117 -174.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -72.36 -36.26 54.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.75 -0.38 . . . . 50.0 110.857 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.8 -43.12 96.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.345 -0.613 . . . . 50.0 109.345 177.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.7 mt -68.53 -37.96 80.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.085 0.469 . . . . 50.0 110.686 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 10.3 t -62.55 -45.07 99.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.484 -0.561 . . . . 50.0 109.484 176.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.94 84.82 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.062 -0.399 . . . . 25.0 110.812 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.34 96.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.065 0.459 . . . . 25.0 110.409 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.44 -37.28 82.75 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.469 -0.567 . . . . 50.0 109.469 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 89.9 m -60.13 -46.8 88.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.196 -0.456 . . . . 25.0 110.981 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.408 ' HA ' ' HB2' ' B' ' 86' ' ' ASN . 26.8 m -71.55 -28.64 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 119.195 0.907 . . . . 50.0 111.965 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.18 -22.8 64.81 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.326 0.584 . . . . 25.0 110.845 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.408 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 76.5 m-20 -104.85 -11.54 16.7 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 127.801 2.44 . . . . 25.0 113.847 -174.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -41.82 -21.62 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 117.377 2.362 . . . . 25.0 117.377 -168.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -55.16 -16.15 2.87 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.645 0.778 . . . . 50.0 112.315 172.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -58.12 -29.85 65.83 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 122.818 0.447 . . . . 50.0 111.443 172.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -118.68 -6.63 10.63 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 116.697 2.11 . . . . 50.0 116.697 -171.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -160.5 157.55 27.72 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 105.479 -2.045 . . . . 50.0 105.479 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -71.76 101.35 2.56 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 123.572 0.749 . . . . 50.0 109.434 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 64.0 m . . . . . 0 C--O 1.244 0.802 0 CA-C-O 118.152 -0.928 . . . . 25.0 110.997 -178.804 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 107.487 -1.301 . . . . 25.0 107.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.82 -39.91 93.43 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.472 0.578 . . . . 25.0 110.111 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.448 HD22 HD13 ' B' ' 41' ' ' LEU . 6.2 tt -64.6 -43.84 92.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.802 0.811 . . . . 25.0 109.989 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.12 -33.36 73.34 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 121.536 -0.728 . . . . 25.0 112.053 -177.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 p -71.59 -28.33 63.74 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 118.445 0.566 . . . . 25.0 109.563 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.25 90.35 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.3 mmm -71.05 -32.33 69.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -71.53 -24.77 62.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.065 -0.717 . . . . 25.0 109.065 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.8 m -66.74 -42.25 86.52 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.112 -0.368 . . . . 25.0 110.243 170.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -33.1 72.06 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.2 mt -67.58 -46.63 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -57.87 -47.25 83.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.184 0.516 . . . . 25.0 110.291 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.436 HG11 HD12 ' B' ' 4' ' ' LEU . 89.0 t -64.66 -42.16 94.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.592 -0.731 . . . . 25.0 111.864 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.98 -43.82 98.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.484 -0.76 . . . . 25.0 109.635 176.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -71.32 -14.19 62.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.559 0.948 . . . . 25.0 113.559 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.15 67.67 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.129 -0.323 . . . . 25.0 110.129 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -109.7 -16.78 13.84 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.443 0.534 . . . . 25.0 112.443 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 N--CA 1.468 0.45 0 CA-C-O 121.556 0.693 . . . . 25.0 111.056 -177.26 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 109.163 -0.68 . . . . 25.0 109.163 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -132.85 158.96 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.479 -0.782 . . . . 25.0 109.395 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -143.24 134.1 25.39 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.16 147.75 52.91 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.757 -0.46 . . . . 25.0 109.757 178.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.57 -42.16 96.07 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -30.85 71.72 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.348 0.976 . . . . 25.0 110.051 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -77.09 -25.49 52.33 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.589 -0.732 . . . . 25.0 109.815 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 69' ' ' VAL . 15.4 tp -67.57 -36.45 80.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.788 -0.57 . . . . 25.0 110.565 175.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HB2' HD11 ' A' ' 61' ' ' LEU . 31.7 ttpt -58.82 -33.73 70.72 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.694 -0.402 . . . . 25.0 110.529 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -63.47 -48.31 78.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.679 -0.489 . . . . 25.0 109.679 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 tt -59.06 -46.71 87.57 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.71 -32.31 73.4 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.544 -0.753 . . . . 25.0 111.829 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -81.48 -22.52 38.0 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 122.024 -0.422 . . . . 25.0 111.326 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.5 m -92.25 -56.25 3.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.89 -0.596 . . . . 25.0 112.054 -176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -87.93 -38.36 15.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.447 HD13 HD22 ' B' ' 4' ' ' LEU . 9.9 tp -90.68 8.14 35.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.351 0.596 . . . . 25.0 110.195 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.19 -37.5 15.94 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 115.748 1.759 . . . . 25.0 115.748 176.03 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.12 64.67 Favored Glycine 0 C--O 1.225 -0.452 0 C-N-CA 120.543 -0.837 . . . . 25.0 111.219 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -74.48 -27.31 60.51 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.739 -0.859 . . . . 25.0 109.152 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.24 -40.29 74.55 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.35 -29.18 69.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.661 0.743 . . . . 25.0 110.651 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.34 17.55 19.85 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.797 -0.638 . . . . 25.0 111.259 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.31 148.36 37.14 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.575 0.703 . . . . 25.0 110.524 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -122.78 -46.19 2.13 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.335 -0.987 . . . . 25.0 108.335 176.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -86.33 85.98 7.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.569 -0.742 . . . . 25.0 109.359 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.68 -22.94 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.052 -0.976 . . . . 25.0 110.809 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -72.91 -51.05 20.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.213 0.53 . . . . 25.0 109.679 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.43 74.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -174.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.69 -40.91 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.36 -29.54 37.92 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.065 0.46 . . . . 25.0 110.726 -176.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -33.11 67.6 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.211 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.7 t -83.29 -42.98 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.7 mmt -66.47 -53.69 32.5 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 -175.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -35.31 80.01 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.715 -0.394 . . . . 25.0 110.562 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -62.35 -43.13 99.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.476 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.579 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -77.94 -23.86 48.4 Favored 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 119.168 -1.013 . . . . 25.0 110.189 -179.154 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.52 -25.13 67.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.843 0.354 . . . . 25.0 111.9 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -100.2 -25.95 14.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.617 0.722 . . . . 25.0 110.289 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -97.15 17.13 17.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.607 -0.724 . . . . 25.0 110.321 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.0 -20.72 67.12 Favored Glycine 0 C--O 1.219 -0.824 0 N-CA-C 115.3 0.88 . . . . 25.0 115.3 -169.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -89.03 6.02 41.65 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 122.063 0.935 . . . . 25.0 110.455 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.19 -155.32 30.96 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 104.857 -3.297 . . . . 25.0 104.857 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -153.44 168.98 24.3 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.949 -0.736 . . . . 25.0 109.892 -175.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.407 HG21 HD22 ' A' ' 33' ' ' LEU . 2.8 m -140.6 168.82 16.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.073 -0.967 . . . . 25.0 108.995 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -121.24 -174.34 2.82 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.095 -1.816 . . . . 25.0 106.095 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -53.97 -47.98 70.79 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 113.342 0.867 . . . . 25.0 113.342 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.516 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.6 tt0 -55.42 -45.39 76.75 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.935 -0.478 . . . . 25.0 110.831 -177.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -45.17 69.9 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.25 1.024 . . . . 25.0 109.101 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.8 -40.32 79.63 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.606 -1.179 . . . . 25.0 110.265 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.12 -36.85 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 122.26 -0.275 . . . . 25.0 111.011 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 72' ' ' GLN . 59.4 t -58.29 -45.84 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 177.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.3 mt -70.0 -37.94 75.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.963 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.1 t -62.09 -44.94 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.49 -36.96 85.43 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.103 -0.373 . . . . 25.0 110.861 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.45 95.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.162 0.506 . . . . 25.0 110.467 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.92 -36.21 79.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.315 0.578 . . . . 25.0 109.743 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.4 m -61.08 -44.92 96.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.169 -0.468 . . . . 25.0 111.083 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.453 HG11 ' HB2' ' B' ' 72' ' ' GLN . 29.4 m -71.78 -28.44 30.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 120.879 -1.138 . . . . 25.0 111.914 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.252 0.548 . . . . 25.0 110.862 175.062 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -63.24 -42.77 99.24 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.885 -0.509 . . . . 25.0 109.792 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.447 HD22 HD13 ' A' ' 41' ' ' LEU . 3.6 tt -65.64 -43.54 89.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.762 0.791 . . . . 25.0 109.941 177.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.49 -32.92 73.24 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.346 -0.846 . . . . 25.0 112.073 -175.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.9 p -73.4 -30.11 63.04 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.82 84.56 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 173.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.3 mmm -70.6 -32.35 69.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.534 0.938 . . . . 25.0 113.534 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.99 -25.69 62.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.67 -0.644 . . . . 25.0 109.326 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -65.03 -42.13 94.62 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 122.143 -0.348 . . . . 25.0 110.105 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.52 -32.89 73.9 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.452 -0.573 . . . . 25.0 109.452 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -68.35 -47.41 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.86 -49.64 76.98 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.25 0.548 . . . . 25.0 110.837 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 p -72.76 -29.81 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 115.843 -0.617 . . . . 25.0 112.517 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.34 -45.13 95.68 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.885 -1.135 . . . . 25.0 108.978 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -66.54 -19.82 65.87 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.472 -0.786 . . . . 25.0 112.119 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.84 -28.22 69.4 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.749 -0.594 . . . . 25.0 112.293 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -116.99 0.25 12.36 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.68 0.252 . . . . 25.0 111.68 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.437 ' HA ' HD13 ' B' ' 28' ' ' LEU . 59.6 p -75.19 170.98 14.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.024 0.75 . . . . 25.0 113.024 -174.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.35 0 N-CA-C 116.745 1.458 . . . . 25.0 116.745 173.63 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? . . . . . 0 C--O 1.232 0.172 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' B' ' 19' ' ' SER . 11.7 tp -151.58 138.93 19.4 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 106.453 -1.684 . . . . 25.0 106.453 176.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.15 148.03 51.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.999 0.818 . . . . 25.0 109.676 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -59.41 -43.56 92.99 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.539 1.311 . . . . 25.0 114.539 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -30.11 70.98 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.25 0.932 . . . . 25.0 110.263 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -77.92 -24.4 48.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.367 -0.833 . . . . 25.0 109.529 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.496 HD22 HG21 ' B' ' 69' ' ' VAL . 24.8 tp -69.2 -36.11 76.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.91 0.386 . . . . 25.0 110.416 177.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.484 ' HB2' HD11 ' B' ' 61' ' ' LEU . 30.4 ttpt -57.0 -34.31 68.01 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.458 -0.337 . . . . 25.0 110.945 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.56 -48.81 79.28 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.33 -45.6 90.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.658 0.742 . . . . 25.0 109.161 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.93 -30.12 70.65 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.762 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -81.85 -22.46 36.96 Favored 'General case' 0 C--N 1.316 -0.889 0 O-C-N 121.499 -0.751 . . . . 25.0 110.566 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.4 m -88.85 -56.4 3.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.772 -0.649 . . . . 25.0 111.184 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -92.53 -31.83 15.07 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.844 1.053 . . . . 25.0 113.844 -174.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.448 HD13 HD22 ' A' ' 4' ' ' LEU . 11.7 tp -95.13 9.57 39.11 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.998 -0.742 . . . . 25.0 108.998 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.3 t -48.36 -37.15 16.02 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.526 1.676 . . . . 25.0 115.526 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.61 -34.24 57.1 Favored Glycine 0 C--O 1.225 -0.438 0 C-N-CA 120.482 -0.866 . . . . 25.0 111.222 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -73.45 -29.45 62.55 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.78 -39.09 80.36 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.93 -30.06 69.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.463 0.649 . . . . 25.0 111.689 177.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.3 18.88 14.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.099 -0.501 . . . . 25.0 111.34 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -61.32 149.25 38.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.532 0.682 . . . . 25.0 110.959 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -127.35 -46.7 1.47 Allowed 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -83.76 85.85 7.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 176.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.49 -27.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.544 -0.753 . . . . 25.0 110.445 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.17 -40.14 74.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.311 0.577 . . . . 25.0 109.465 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.93 -36.83 41.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 25.0 112.217 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.4 p -64.98 -40.13 88.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -80.3 -27.74 38.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.94 -0.573 . . . . 25.0 111.231 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.67 -32.69 65.66 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.764 -0.458 . . . . 25.0 109.764 176.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.6 -45.7 18.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.539 -0.464 . . . . 25.0 110.391 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.6 mmt -67.54 -49.95 60.92 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -174.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -36.31 83.61 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.785 -0.366 . . . . 25.0 110.026 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.74 -43.03 94.66 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.972 -0.291 . . . . 25.0 110.832 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -76.31 -24.32 54.35 Favored 'General case' 0 C--O 1.201 -1.463 0 C-N-CA 119.343 -0.943 . . . . 25.0 109.157 -176.215 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.3 -22.4 66.94 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.863 -0.523 . . . . 25.0 112.225 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -103.55 -23.41 13.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.352 0.596 . . . . 25.0 110.91 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -97.68 13.38 30.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.622 0.725 . . . . 25.0 110.378 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.7 -17.34 69.0 Favored Glycine 0 C--O 1.219 -0.793 0 N-CA-C 116.491 1.357 . . . . 25.0 116.491 -167.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -89.71 3.0 54.11 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.593 0.711 . . . . 25.0 110.461 -172.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.43 -155.93 30.25 Favored Glycine 0 N--CA 1.419 -2.444 0 N-CA-C 104.989 -3.245 . . . . 25.0 104.989 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.63 166.44 31.22 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 122.237 -0.566 . . . . 25.0 110.131 -173.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.496 HG21 HD22 ' B' ' 33' ' ' LEU . 3.5 m -136.07 171.22 17.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.139 -0.937 . . . . 25.0 108.841 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -126.38 -174.0 3.01 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 105.162 -2.162 . . . . 25.0 105.162 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -53.16 -47.95 68.36 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.453 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.6 tt0 -55.17 -45.74 75.77 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.174 0.443 . . . . 25.0 111.272 -177.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -47.32 65.3 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 122.319 1.056 . . . . 25.0 108.589 -175.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -40.11 81.83 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.661 -1.154 . . . . 25.0 110.857 -176.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.37 -36.93 63.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 O-C-N 122.306 -0.246 . . . . 25.0 111.066 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.417 HG22 HG22 ' A' ' 76' ' ' VAL . 51.8 t -60.62 -43.58 95.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.609 -0.515 . . . . 25.0 109.609 177.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.5 mt -69.36 -37.56 77.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.99 0.424 . . . . 25.0 110.803 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.4 -43.86 98.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.07 81.8 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.072 -0.393 . . . . 25.0 111.308 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.9 97.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.13 0.49 . . . . 25.0 110.213 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -35.97 77.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.244 0.545 . . . . 25.0 109.665 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 82.2 m -59.71 -44.97 93.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.275 -0.421 . . . . 25.0 111.003 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.458 HG11 ' HB2' ' A' ' 72' ' ' GLN . 29.3 m -72.44 -30.31 34.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 120.89 -1.131 . . . . 25.0 111.958 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.325 0 CA-C-O 121.219 0.533 . . . . 25.0 111.328 176.053 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--O 1.239 0.528 0 N-CA-C 106.889 -1.523 . . . . 25.0 106.889 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.13 -35.83 81.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.23 0.538 . . . . 25.0 110.108 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.488 HD12 HG11 ' B' ' 14' ' ' VAL . 2.8 tt -64.73 -43.02 94.74 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 121.876 0.846 . . . . 25.0 109.604 177.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.86 -33.95 75.75 Favored 'General case' 0 C--N 1.314 -0.939 0 O-C-N 121.339 -0.85 . . . . 25.0 111.561 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 p -73.41 -27.15 61.29 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.377 -0.529 . . . . 25.0 110.041 174.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.31 94.58 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 175.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.9 mmm -70.76 -33.94 71.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.126 0.787 . . . . 25.0 113.126 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.78 -27.92 66.32 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.4 m -64.89 -42.71 94.57 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.182 -0.324 . . . . 25.0 110.454 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.58 -34.83 74.76 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -67.03 -46.54 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.564 -0.532 . . . . 25.0 109.564 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.42 -47.34 84.24 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.549 0.69 . . . . 25.0 110.82 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.45 HG11 HD12 ' B' ' 4' ' ' LEU . 78.5 t -63.69 -43.85 98.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.279 -0.873 . . . . 25.0 111.489 -178.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -60.8 -44.47 96.82 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.643 -0.661 . . . . 25.0 109.423 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -66.22 -18.47 65.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.583 -0.735 . . . . 25.0 112.909 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.46 -42.65 74.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.696 -0.628 . . . . 25.0 111.102 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -95.96 -15.84 22.08 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.725 0.639 . . . . 25.0 112.725 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -175.808 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -131.31 155.27 47.49 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.75 -0.659 . . . . 25.0 110.224 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 tp -145.31 134.07 22.29 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 1.9 m -66.73 146.55 54.34 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 118.725 0.693 . . . . 25.0 109.658 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.09 -51.95 66.03 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -174.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -31.37 66.09 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 176.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -79.0 -23.38 44.42 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.226 0.536 . . . . 25.0 110.601 -178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.447 HD22 HG21 ' A' ' 69' ' ' VAL . 24.6 tp -65.88 -31.06 71.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.56 0.695 . . . . 25.0 109.985 176.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HB2' HD11 ' A' ' 61' ' ' LEU . 34.0 ttpt -60.79 -31.52 70.88 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.806 -0.633 . . . . 25.0 110.394 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.87 -47.11 84.74 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.41 -45.75 93.0 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.04 -27.79 69.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.602 0.715 . . . . 25.0 111.223 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -81.86 -22.51 36.9 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 123.214 0.605 . . . . 25.0 111.487 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 m -100.31 -60.66 1.49 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -88.13 -18.18 29.37 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.9 tp -111.95 9.82 20.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.741 -0.663 . . . . 25.0 109.337 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.24 -38.02 38.51 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 115.178 1.547 . . . . 25.0 115.178 177.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.18 -29.27 72.16 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 120.882 -0.675 . . . . 25.0 112.083 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -79.78 -28.35 40.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.684 -0.892 . . . . 25.0 108.914 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.15 -39.81 82.54 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.07 -31.65 69.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.538 0.685 . . . . 25.0 111.519 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.15 18.76 7.67 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 116.355 -0.384 . . . . 25.0 110.312 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -61.53 156.22 20.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.031 0.443 . . . . 25.0 110.076 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -138.26 -45.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -80.89 88.84 5.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.126 -0.943 . . . . 25.0 108.558 175.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -67.25 -25.41 33.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.466 -176.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.55 -43.77 46.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.292 -0.633 . . . . 25.0 109.292 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.66 -38.21 62.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.37 -39.7 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -80.36 -28.95 37.91 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 116.093 -0.503 . . . . 25.0 111.352 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -36.25 69.46 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.92 -43.92 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.636 0.731 . . . . 25.0 109.455 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.9 mmt -67.99 -51.39 47.86 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.749 -0.66 . . . . 25.0 112.267 -175.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -37.53 87.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.127 -0.323 . . . . 25.0 110.127 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -60.78 -42.91 98.45 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.761 -0.376 . . . . 25.0 110.491 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -78.85 -24.01 44.62 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 118.749 -1.18 . . . . 25.0 110.457 -178.53 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.9 -25.27 65.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.937 0.399 . . . . 25.0 110.877 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -93.58 -26.95 16.89 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.789 0.804 . . . . 25.0 109.014 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -95.39 17.85 13.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.17 -0.923 . . . . 25.0 109.049 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.63 29.1 1.77 Allowed Glycine 0 C--O 1.214 -1.108 0 CA-C-N 115.782 -0.644 . . . . 25.0 114.432 -173.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -116.01 -16.24 11.09 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 112.746 0.647 . . . . 25.0 112.746 168.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.79 -150.45 21.79 Favored Glycine 0 N--CA 1.441 -0.97 0 N-CA-C 110.566 -1.014 . . . . 25.0 110.566 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.441 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -149.31 168.21 23.95 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.926 -0.637 . . . . 25.0 110.836 -171.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.447 HG21 HD22 ' A' ' 33' ' ' LEU . 3.4 m -136.85 171.09 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.437 -0.802 . . . . 25.0 109.147 177.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -126.62 -174.14 3.05 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 105.248 -2.13 . . . . 25.0 105.248 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -53.29 -48.62 68.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.696 0.999 . . . . 25.0 113.696 176.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.2 tt0 -56.37 -45.3 80.56 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.582 0.628 . . . . 25.0 110.997 -177.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.25 -45.13 74.02 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 122.351 1.072 . . . . 25.0 108.845 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -39.67 84.76 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.803 -1.09 . . . . 25.0 110.61 -177.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.2 t -71.51 -36.18 59.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 122.231 -0.293 . . . . 25.0 110.654 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 72' ' ' GLN . 72.5 t -58.4 -46.14 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.391 0.615 . . . . 25.0 109.507 176.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.32 -35.91 71.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.036 -0.529 . . . . 25.0 111.138 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 t -63.67 -43.74 98.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.454 -0.572 . . . . 25.0 109.454 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.22 -37.63 87.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.174 -0.329 . . . . 25.0 110.139 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.69 98.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 25.0 110.76 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.97 -35.13 74.21 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.366 0.603 . . . . 25.0 110.065 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -61.69 -45.7 92.88 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 122.117 -0.364 . . . . 25.0 111.211 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.9 m -68.55 -22.47 27.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.946 0 N-CA-C 113.223 0.823 . . . . 25.0 113.223 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.001 0 CA-C-N 119.382 0.992 . . . . 25.0 112.716 174.863 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.6 -40.65 88.21 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.207 0.527 . . . . 25.0 111.63 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.45 HD12 HG11 ' A' ' 14' ' ' VAL . 2.2 tt -65.81 -41.69 91.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.898 0.856 . . . . 25.0 109.965 177.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -65.3 -36.33 83.75 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.623 -0.673 . . . . 25.0 110.924 -176.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.6 p -72.59 -28.7 62.95 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.405 -0.518 . . . . 25.0 110.694 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.69 -44.97 92.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.893 -1.151 . . . . 25.0 107.893 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -71.6 -32.84 68.47 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -68.39 -28.52 67.18 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.39 -0.819 . . . . 25.0 108.91 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.1 m -63.59 -44.43 94.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.777 0.322 . . . . 25.0 110.39 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.85 -35.79 77.47 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.6 -46.91 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 109.454 -0.573 . . . . 25.0 109.454 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -58.93 -44.69 91.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 25.0 111.417 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.488 HG11 HD12 ' A' ' 4' ' ' LEU . 80.7 t -66.84 -43.4 89.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.726 -0.67 . . . . 25.0 110.981 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.88 -44.83 96.55 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -66.46 -18.91 65.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.19 -47.28 74.44 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 122.025 -0.422 . . . . 25.0 110.95 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -92.91 -16.86 24.7 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 90.1 p -62.0 165.6 5.39 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.327 0 C-N-CA 120.452 -0.88 . . . . 25.0 114.425 177.457 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm . . . . . 0 CA--C 1.513 -0.476 0 CA-C-O 121.195 0.521 . . . . 25.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -141.12 131.56 25.27 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 106.01 -1.848 . . . . 25.0 106.01 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 5.0 m -65.51 145.25 56.34 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.244 -0.582 . . . . 25.0 110.22 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -54.69 -51.12 66.54 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.025 0.75 . . . . 25.0 113.025 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.44 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -58.96 -31.28 68.59 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 176.73 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -78.38 -23.53 46.77 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 121.398 0.618 . . . . 25.0 110.196 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.22 -31.73 73.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.862 -0.524 . . . . 25.0 110.134 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.566 ' HB2' HD11 ' B' ' 61' ' ' LEU . 34.6 ttpt -60.58 -33.06 72.16 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.48 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.5 -47.86 74.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.031 -0.729 . . . . 25.0 109.031 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.1 -46.21 90.35 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.1 mt -62.7 -30.24 71.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.024 -0.535 . . . . 25.0 111.624 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -81.91 -22.37 36.83 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 122.807 0.443 . . . . 25.0 111.488 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 36.7 m -94.53 -52.28 4.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.771 -0.649 . . . . 25.0 112.3 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -94.39 -25.85 16.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -174.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 tp -104.72 12.03 33.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -40.54 30.85 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.59 1.7 . . . . 25.0 115.59 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.63 -34.57 62.95 Favored Glycine 0 C--O 1.229 -0.181 0 C-N-CA 120.426 -0.892 . . . . 25.0 110.896 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -70.82 -31.07 67.68 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.716 -0.873 . . . . 25.0 109.387 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 mt -68.72 -39.77 80.25 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 110.032 -0.358 . . . . 25.0 110.032 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.33 -36.04 81.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.651 0.738 . . . . 25.0 111.287 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.19 28.64 3.52 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.302 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -64.67 159.55 21.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.755 -0.461 . . . . 25.0 109.755 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -132.6 -47.94 0.89 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.543 -0.54 . . . . 25.0 109.543 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -84.84 92.26 8.21 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.524 -0.547 . . . . 25.0 109.524 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -67.1 -22.16 28.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.493 -0.776 . . . . 25.0 112.363 -176.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -79.07 -50.0 11.76 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.725 . . . . 25.0 109.044 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.19 85.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.682 -0.235 . . . . 25.0 111.502 -175.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -63.74 -41.76 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.64 -31.31 36.53 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 120.956 0.407 . . . . 25.0 111.131 -174.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -57.9 -42.1 84.0 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 116.372 -0.377 . . . . 25.0 110.351 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 82.9 t -66.41 -40.95 87.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 -177.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.0 mmt -67.9 -49.04 64.24 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 115.817 -0.628 . . . . 25.0 112.187 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -37.97 87.94 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 121.087 -0.245 . . . . 25.0 110.561 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -61.66 -41.15 97.14 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.149 -0.315 . . . . 25.0 110.149 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -78.73 -23.45 45.45 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 118.927 -1.109 . . . . 25.0 110.584 -179.447 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.68 -25.53 66.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.894 0.378 . . . . 25.0 110.993 -176.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -97.38 -24.64 15.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.66 0.743 . . . . 25.0 109.683 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -95.55 17.94 13.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.435 -0.802 . . . . 25.0 108.854 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.26 36.26 1.75 Allowed Glycine 0 C--O 1.22 -0.78 0 CA-C-N 115.991 -0.55 . . . . 25.0 114.116 -174.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -115.85 -29.93 6.24 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 122.647 -0.325 . . . . 25.0 111.285 175.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.53 -150.35 13.71 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-O 122.385 0.992 . . . . 25.0 112.007 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.544 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -146.67 165.09 30.61 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.177 -1.012 . . . . 25.0 110.149 -171.752 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.34 168.45 24.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.93 -174.13 2.7 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -52.76 -47.53 67.4 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.512 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.4 tt0 -55.0 -47.3 74.84 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.938 -0.476 . . . . 25.0 111.34 -177.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.07 -44.8 71.82 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.972 0.892 . . . . 25.0 109.124 -174.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -40.16 84.17 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.14 -0.936 . . . . 25.0 111.202 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.94 -36.23 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.275 -0.265 . . . . 25.0 110.673 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.457 HG22 HG22 ' A' ' 76' ' ' VAL . 53.1 t -60.81 -43.52 95.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.51 -35.93 73.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.052 0.454 . . . . 25.0 110.792 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.4 t -63.03 -43.53 99.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.279 -0.638 . . . . 25.0 109.279 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.67 83.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.065 -0.397 . . . . 25.0 110.759 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.46 97.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.126 0.488 . . . . 25.0 110.312 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.08 -34.26 72.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.378 0.609 . . . . 25.0 109.921 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 54.6 m -63.88 -43.62 95.5 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.056 -0.403 . . . . 25.0 111.056 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 72' ' ' GLN . 34.0 m -71.25 -23.54 23.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 O-C-N 121.514 -0.741 . . . . 25.0 111.844 177.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.875 0 O-C-N 121.362 -0.836 . . . . 25.0 111.094 171.291 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.54 -44.07 96.51 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.384 0.538 . . . . 25.0 110.911 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.535 HD22 HD13 ' B' ' 41' ' ' LEU . 5.5 tt -65.0 -40.83 95.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.727 0.775 . . . . 25.0 109.853 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.58 -34.55 74.31 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.566 -0.708 . . . . 25.0 111.947 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 p -71.86 -28.46 63.56 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 118.629 0.65 . . . . 25.0 109.507 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.04 87.18 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.464 -1.31 . . . . 25.0 107.464 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.1 mmm -71.33 -32.97 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.648 0.981 . . . . 25.0 113.648 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -69.89 -26.62 64.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 m -65.04 -43.5 92.15 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.61 -0.268 . . . . 25.0 110.59 171.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.27 -35.89 74.54 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.122 -0.696 . . . . 25.0 109.122 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.4 mt -65.6 -47.1 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -58.7 -45.93 88.43 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.47 0.652 . . . . 25.0 111.113 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.417 HG11 HD12 ' B' ' 4' ' ' LEU . 72.4 t -64.49 -44.2 96.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.367 -0.833 . . . . 25.0 111.326 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.96 -42.99 99.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.444 0.64 . . . . 25.0 109.496 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -64.86 -19.43 65.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.499 -0.773 . . . . 25.0 112.624 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -49.85 68.59 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -91.88 -18.24 24.07 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.9 p . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 113.556 0.947 . . . . 25.0 113.556 -175.565 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -128.43 145.02 51.22 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.325 -0.398 . . . . 25.0 112.045 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -141.31 136.0 31.13 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.14 145.31 53.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 118.201 0.455 . . . . 25.0 110.353 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -58.09 -44.99 87.9 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.524 0.935 . . . . 25.0 113.524 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -23.01 65.97 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.404 -0.81 . . . . 25.0 110.255 -178.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -86.26 -24.64 25.9 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 121.821 0.82 . . . . 25.0 109.225 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.466 HD22 HG21 ' A' ' 69' ' ' VAL . 15.0 tp -66.24 -37.91 86.63 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.494 -0.754 . . . . 25.0 109.688 170.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.54 ' HB2' HD11 ' A' ' 61' ' ' LEU . 31.4 ttpt -56.91 -34.28 67.78 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 122.074 -0.391 . . . . 25.0 110.902 177.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -63.43 -49.0 75.45 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.588 -0.523 . . . . 25.0 109.588 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.89 -45.22 90.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.449 0.642 . . . . 25.0 109.563 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.71 -31.33 72.47 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.848 -0.615 . . . . 25.0 111.712 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -81.75 -22.39 37.28 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 122.935 0.494 . . . . 25.0 110.693 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.7 m -91.79 -50.59 5.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.782 -0.645 . . . . 25.0 112.315 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -91.18 -45.05 8.87 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.086 0.47 . . . . 25.0 112.159 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.417 HD13 HD22 ' B' ' 4' ' ' LEU . 9.7 tp -85.01 9.75 13.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.649 0.738 . . . . 25.0 109.564 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -39.52 18.66 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 115.46 1.652 . . . . 25.0 115.46 174.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.99 -35.57 64.72 Favored Glycine 0 N--CA 1.458 0.135 0 C-N-CA 120.267 -0.968 . . . . 25.0 111.061 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -69.53 -32.89 72.0 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -69.88 -40.67 75.54 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 120.551 0.215 . . . . 25.0 111.196 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.54 -35.97 82.43 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.741 0.781 . . . . 25.0 110.74 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.1 29.95 4.02 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.689 -0.687 . . . . 25.0 110.218 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -62.59 152.49 34.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -129.53 -53.33 1.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.803 0.335 . . . . 25.0 110.645 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.95 84.51 6.92 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.699 -1.223 . . . . 25.0 107.699 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.3 m -64.09 -28.71 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.685 -0.689 . . . . 25.0 112.415 -173.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.76 -38.7 83.8 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.98 -39.03 43.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.981 -0.554 . . . . 25.0 112.234 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.94 -39.62 86.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -80.37 -29.83 37.89 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.21 -0.45 . . . . 25.0 111.316 -176.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.25 -36.16 70.6 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 121.056 -0.258 . . . . 25.0 110.359 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -77.52 -42.7 30.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.434 0.635 . . . . 25.0 109.499 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.1 mmt -68.1 -51.36 47.25 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 112.721 0.637 . . . . 25.0 112.721 -175.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -35.62 80.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.745 -0.382 . . . . 25.0 110.207 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.74 -42.69 99.79 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.656 -0.418 . . . . 25.0 110.676 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.67 -23.64 45.56 Favored 'General case' 0 C--O 1.204 -1.341 0 C-N-CA 118.913 -1.115 . . . . 25.0 110.357 -179.598 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.34 -26.13 67.6 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 122.005 -0.434 . . . . 25.0 112.142 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -102.16 -23.23 14.07 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.549 0.69 . . . . 25.0 110.673 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -96.52 14.15 25.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.806 0.812 . . . . 25.0 109.224 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.71 -19.84 67.63 Favored Glycine 0 C--O 1.218 -0.878 0 N-CA-C 116.705 1.442 . . . . 25.0 116.705 -167.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -89.94 1.76 55.87 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.388 0.614 . . . . 25.0 110.552 -172.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.67 -152.83 24.22 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 104.831 -3.308 . . . . 25.0 104.831 173.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.05 170.98 19.11 Favored 'General case' 0 C--N 1.311 -1.07 0 O-C-N 121.945 -0.738 . . . . 25.0 110.647 -172.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.466 HG21 HD22 ' A' ' 33' ' ' LEU . 2.8 m -139.61 168.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.198 -0.91 . . . . 25.0 109.456 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -122.77 -174.36 2.91 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.936 -1.876 . . . . 25.0 105.936 174.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -54.75 -48.89 72.02 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.664 0.987 . . . . 25.0 113.664 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.518 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.0 tt0 -55.18 -44.03 74.88 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.352 0.524 . . . . 25.0 110.575 -177.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -47.66 67.4 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 122.245 1.021 . . . . 25.0 108.757 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -39.33 79.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.641 -1.163 . . . . 25.0 111.125 -175.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.84 -36.39 58.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 121.077 -0.249 . . . . 25.0 110.966 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.489 HG22 HG22 ' B' ' 76' ' ' VAL . 57.0 t -61.73 -43.17 96.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.551 -0.536 . . . . 25.0 109.551 177.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.1 mt -68.66 -37.31 79.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.167 0.508 . . . . 25.0 110.632 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 t -62.82 -44.71 99.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 116.133 -0.485 . . . . 25.0 109.749 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.23 82.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.027 -0.42 . . . . 25.0 111.239 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.24 97.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.341 0.591 . . . . 25.0 110.324 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -35.51 75.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.43 0.633 . . . . 25.0 110.019 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.7 m -64.08 -41.08 97.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.196 -0.456 . . . . 25.0 111.881 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.487 HG11 ' HB2' ' B' ' 72' ' ' GLN . 31.6 m -71.51 -24.22 23.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 121.09 -1.006 . . . . 25.0 112.097 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.681 0 CA-C-O 122.088 0.947 . . . . 25.0 111.464 171.763 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.1 -43.68 95.37 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.551 0.614 . . . . 25.0 111.281 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.417 HD12 HG11 ' A' ' 14' ' ' VAL . 3.7 tt -65.16 -40.4 94.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.943 0.878 . . . . 25.0 109.327 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -68.05 -36.22 79.53 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 121.682 -0.636 . . . . 25.0 111.508 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.0 p -72.17 -28.76 63.43 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.432 -0.507 . . . . 25.0 109.701 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.6 -47.88 81.86 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.463 -1.31 . . . . 25.0 107.463 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.58 -32.95 70.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.907 1.077 . . . . 25.0 113.907 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.79 -27.66 66.07 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -64.91 -43.26 93.41 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.234 -0.292 . . . . 25.0 110.598 171.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.44 -37.03 82.07 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.927 -0.768 . . . . 25.0 108.927 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.03 -47.46 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.34 -51.74 68.17 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.283 0.563 . . . . 25.0 111.188 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.7 p -67.94 -37.24 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 115.664 -0.698 . . . . 25.0 112.027 -175.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.412 ' HB2' ' CE2' ' B' ' 74' ' ' TYR . 72.4 t80 -62.34 -47.19 85.33 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.099 -1.001 . . . . 25.0 110.219 173.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -60.4 -28.02 67.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.512 -0.767 . . . . 25.0 112.32 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.66 95.9 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.735 0.642 . . . . 25.0 112.735 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -93.25 -20.86 20.01 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.767 0.317 . . . . 25.0 111.292 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -65.34 158.3 26.84 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.073 0.768 . . . . 25.0 113.073 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.579 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.16 178.67 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 121.314 0.578 . . . . 25.0 110.25 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -140.85 135.64 31.57 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 108.075 -1.083 . . . . 25.0 108.075 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.96 150.21 49.01 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.174 -0.61 . . . . 25.0 109.595 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -60.81 -43.52 98.07 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.542 0.941 . . . . 25.0 113.542 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -29.13 69.95 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.512 -0.743 . . . . 25.0 110.599 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -77.08 -24.68 51.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.405 -0.816 . . . . 25.0 108.878 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 tp -71.63 -36.85 70.88 Favored 'General case' 0 CA--C 1.513 -0.461 0 O-C-N 121.879 -0.513 . . . . 25.0 110.285 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.607 ' HB2' HD11 ' B' ' 61' ' ' LEU . 30.9 ttpt -56.2 -33.68 65.55 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 120.767 -0.373 . . . . 25.0 110.902 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.66 -50.21 72.09 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.864 -0.421 . . . . 25.0 109.864 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.31 -45.02 92.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.784 0.802 . . . . 25.0 109.227 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.41 -32.04 73.37 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.339 -0.846 . . . . 25.0 111.592 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -81.68 -22.76 37.25 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 121.893 -0.504 . . . . 25.0 110.832 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.3 m -89.34 -50.44 6.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.765 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -95.43 -42.02 8.69 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 112.962 0.727 . . . . 25.0 112.962 -176.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.535 HD13 HD22 ' A' ' 4' ' ' LEU . 10.5 tp -85.65 9.17 16.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.715 0.769 . . . . 25.0 109.512 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.03 -36.35 17.78 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 115.144 1.535 . . . . 25.0 115.144 173.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.87 -39.33 75.71 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 110.875 -0.89 . . . . 25.0 110.875 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -70.45 -25.46 63.2 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.996 -0.708 . . . . 25.0 109.201 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -74.2 -39.87 62.86 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 122.149 -0.344 . . . . 25.0 110.35 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.02 -35.55 76.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.639 0.733 . . . . 25.0 110.945 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.82 28.32 3.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.806 -0.633 . . . . 25.0 110.305 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -62.94 152.24 37.14 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.372 0.606 . . . . 25.0 110.37 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -131.77 -48.58 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 25.0 109.604 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -83.53 85.91 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.448 -1.315 . . . . 25.0 107.448 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.69 -24.65 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.828 -0.623 . . . . 25.0 111.784 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.65 -52.47 21.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.439 0.638 . . . . 25.0 109.52 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.06 -37.69 78.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.821 -0.627 . . . . 25.0 111.98 -172.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.29 -41.89 89.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.46 -31.91 37.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 121.289 0.566 . . . . 25.0 110.304 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -59.6 -43.16 93.79 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 116.178 -0.465 . . . . 25.0 110.809 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.47 -39.13 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.12 -49.52 60.56 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 115.647 -0.706 . . . . 25.0 112.221 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -36.75 84.41 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 121.132 -0.227 . . . . 25.0 110.638 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.95 -41.8 98.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.808 -0.441 . . . . 25.0 109.808 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.607 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.3 OUTLIER -80.9 -23.33 39.05 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 118.792 -1.163 . . . . 25.0 111.539 179.485 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.9 -28.36 66.11 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.386 0.513 . . . . 25.0 112.386 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -104.2 -20.82 13.67 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.543 0.687 . . . . 25.0 111.169 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -96.43 13.88 26.36 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.682 -0.858 . . . . 25.0 108.682 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.86 -20.87 68.95 Favored Glycine 0 C--O 1.218 -0.897 0 N-CA-C 115.773 1.069 . . . . 25.0 115.773 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.17 2.72 51.52 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.432 0.634 . . . . 25.0 110.164 -172.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.01 -153.25 27.11 Favored Glycine 0 N--CA 1.424 -2.135 0 N-CA-C 105.067 -3.213 . . . . 25.0 105.067 172.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.73 169.59 22.96 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 121.72 -0.871 . . . . 25.0 110.815 -171.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.85 166.38 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 CA-C-N 115.224 -0.898 . . . . 25.0 109.953 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -119.97 -174.31 2.74 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 105.591 -2.004 . . . . 25.0 105.591 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -55.3 -46.9 76.24 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.514 ' O ' HG23 ' B' ' 76' ' ' VAL . 64.5 tt0 -55.73 -44.79 77.88 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.286 0.494 . . . . 25.0 110.899 -178.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -43.71 72.59 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 122.409 1.1 . . . . 25.0 109.113 -174.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.412 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 0.2 OUTLIER -59.92 -39.0 83.99 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 114.744 -1.117 . . . . 25.0 110.004 -177.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.4 t -72.04 -36.12 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 121.173 -0.211 . . . . 25.0 110.862 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 72' ' ' GLN . 73.2 t -58.06 -45.59 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 177.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.7 mt -69.33 -38.39 78.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.215 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.6 -44.75 99.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.44 82.95 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.992 -0.443 . . . . 25.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.24 97.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.39 0.614 . . . . 25.0 110.391 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.44 -34.31 74.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.387 0.613 . . . . 25.0 109.642 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.4 m -64.05 -43.07 96.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.33 -0.395 . . . . 25.0 111.342 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.6 m -72.27 -23.92 21.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 O-C-N 121.134 -0.979 . . . . 25.0 112.226 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.613 0 CA-C-O 122.231 1.015 . . . . 25.0 111.15 171.29 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.191 0 N-CA-C 107.197 -1.409 . . . . 25.0 107.197 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.34 -30.36 71.11 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.446 -0.501 . . . . 25.0 111.02 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.552 HD12 HG11 ' B' ' 14' ' ' VAL . 2.6 tt -64.54 -41.11 96.56 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 122.46 1.124 . . . . 25.0 109.745 177.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -71.07 -36.42 72.26 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.749 -0.659 . . . . 25.0 110.551 -174.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.6 p -74.07 -26.53 60.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 173.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.47 92.78 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 107.856 -1.164 . . . . 25.0 107.856 175.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.5 mmm -70.76 -32.76 70.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.651 0.611 . . . . 25.0 112.651 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.7 -29.6 68.9 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.4 m -64.46 -43.14 95.17 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 174.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.54 -37.81 82.42 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.83 -48.63 85.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.517 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -57.51 -46.95 83.18 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.598 0.714 . . . . 25.0 110.827 -177.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.545 HG11 HD12 ' B' ' 4' ' ' LEU . 71.9 t -61.87 -46.07 97.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.67 -0.696 . . . . 25.0 111.378 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.42 -45.96 92.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.152 0.501 . . . . 25.0 109.731 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -62.7 -27.63 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 124.006 0.922 . . . . 25.0 112.882 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.39 82.55 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -87.53 -21.44 25.44 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.37 0.605 . . . . 25.0 110.115 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.943 -0.571 . . . . 25.0 110.103 179.319 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 111.993 0.368 . . . . 25.0 111.993 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.91 149.04 52.28 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.967 -0.382 . . . . 25.0 109.967 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 tp -140.16 138.72 35.41 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.53 151.38 46.55 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.849 -0.341 . . . . 25.0 111.472 179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -62.22 -43.96 97.66 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 113.253 0.835 . . . . 25.0 113.253 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -29.08 70.14 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.211 0.914 . . . . 25.0 110.8 -178.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -75.32 -30.4 60.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.217 -0.902 . . . . 25.0 109.099 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.48 HD22 HG21 ' A' ' 69' ' ' VAL . 14.8 tp -65.27 -29.62 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.285 -0.416 . . . . 25.0 111.409 176.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.676 ' HB2' HD11 ' A' ' 61' ' ' LEU . 29.4 ttpt -62.24 -34.76 77.13 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.162 -0.615 . . . . 25.0 109.983 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.34 -46.72 82.23 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.49 -46.94 87.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.398 0.618 . . . . 25.0 109.791 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.96 -29.51 70.67 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.665 0.745 . . . . 25.0 111.948 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -81.69 -22.38 37.47 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.539 0.736 . . . . 25.0 111.893 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.8 m -101.4 -58.77 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.467 0.914 . . . . 25.0 113.467 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -82.71 -33.06 27.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.685 -0.634 . . . . 25.0 111.398 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.41 HD13 HD22 ' B' ' 4' ' ' LEU . 12.1 tp -97.51 9.91 41.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.473 0.654 . . . . 25.0 109.779 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.4 -36.36 21.82 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.381 1.993 . . . . 25.0 116.381 176.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.35 -38.79 62.46 Favored Glycine 0 N--CA 1.459 0.195 0 C-N-CA 120.238 -0.982 . . . . 25.0 110.807 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -69.49 -31.0 69.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.3 tp -69.75 -44.45 70.19 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 123.779 0.674 . . . . 25.0 110.479 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.3 -32.71 74.5 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.569 -0.742 . . . . 25.0 111.346 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.44 30.39 3.23 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 116.151 -0.477 . . . . 25.0 109.833 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.3 156.57 33.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -136.87 -47.25 0.6 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.15 0.5 . . . . 25.0 110.636 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -85.91 80.14 8.99 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.19 -23.55 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.682 -1.145 . . . . 25.0 113.863 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.77 -37.34 73.35 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.707 -0.621 . . . . 25.0 109.663 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.79 -37.64 55.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.905 -0.589 . . . . 25.0 112.235 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -66.38 -37.2 79.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.784 0.802 . . . . 25.0 109.143 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.4 -23.59 40.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 25.0 110.964 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -23.19 64.07 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.854 -0.612 . . . . 25.0 111.207 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.444 HG13 HD22 ' A' ' 77' ' ' LEU . 84.4 t -93.16 -48.86 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.476 -0.49 . . . . 25.0 110.877 173.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.1 mmt -65.73 -53.17 44.36 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 113.694 0.998 . . . . 25.0 113.694 -171.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -33.56 74.5 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.08 -46.02 90.96 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.463 -0.495 . . . . 25.0 110.103 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -79.12 -20.02 49.69 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 119.178 -1.009 . . . . 25.0 111.067 -176.786 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -57.39 -29.93 64.48 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 111.914 0.338 . . . . 25.0 111.914 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -107.66 -20.85 13.09 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.256 0.551 . . . . 25.0 111.69 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -96.5 16.85 17.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.978 0.894 . . . . 25.0 109.802 177.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.16 -18.89 67.6 Favored Glycine 0 C--O 1.218 -0.863 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 -171.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -89.06 8.19 31.08 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.974 0.892 . . . . 25.0 110.167 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.32 -158.12 34.18 Favored Glycine 0 N--CA 1.415 -2.737 0 N-CA-C 104.368 -3.493 . . . . 25.0 104.368 171.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -151.59 169.51 21.94 Favored 'General case' 0 C--N 1.309 -1.158 0 O-C-N 122.11 -0.641 . . . . 25.0 109.954 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.48 HG21 HD22 ' A' ' 33' ' ' LEU . 2.9 m -141.03 167.82 16.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 123.922 0.764 . . . . 25.0 110.338 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -123.8 -174.14 2.91 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.28 -48.17 71.54 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.541 ' HB2' HG11 ' B' ' 83' ' ' VAL . 64.1 tt0 -56.49 -44.65 80.89 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.684 0.674 . . . . 25.0 110.55 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -48.31 69.56 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 122.329 1.061 . . . . 25.0 108.827 -175.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -40.33 86.13 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.634 -1.166 . . . . 25.0 110.773 -176.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 83.0 t -71.39 -37.33 64.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 122.166 -0.334 . . . . 25.0 111.116 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.3 t -58.3 -44.95 89.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 177.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.444 HD22 HG13 ' A' ' 57' ' ' VAL . 32.0 mt -70.27 -36.78 74.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.85 0.357 . . . . 25.0 111.436 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.8 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 176.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.75 -36.03 81.48 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.817 -0.552 . . . . 25.0 110.519 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.64 94.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.222 0.534 . . . . 25.0 110.336 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.04 -34.78 75.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.347 0.594 . . . . 25.0 109.83 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.4 m -64.47 -43.78 93.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.211 -0.45 . . . . 25.0 111.046 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.467 HG11 ' HB2' ' B' ' 72' ' ' GLN . 35.0 m -72.41 -19.0 19.2 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.991 0 CA-C-O 121.973 0.892 . . . . 25.0 111.715 169.416 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 110.106 -0.331 . . . . 25.0 110.106 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -62.72 -40.18 96.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.963 -0.461 . . . . 25.0 110.265 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.545 HD12 HG11 ' A' ' 14' ' ' VAL . 3.4 tt -63.57 -41.8 98.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.33 1.062 . . . . 25.0 109.991 176.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -69.69 -32.95 71.85 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 121.25 -0.906 . . . . 25.0 111.993 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -75.81 -27.44 57.92 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -45.93 92.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.629 -1.249 . . . . 25.0 107.629 172.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.67 -34.97 72.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -68.2 -28.29 67.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 119.881 -0.728 . . . . 25.0 109.407 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.0 m -63.58 -44.19 94.78 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.755 0.312 . . . . 25.0 110.427 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.64 -37.44 81.52 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.15 -46.51 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 119.389 -0.338 . . . . 25.0 110.253 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -58.76 -46.78 86.7 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.227 0.329 . . . . 25.0 110.667 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.552 HG11 HD12 ' A' ' 4' ' ' LEU . 85.4 t -63.63 -44.35 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 25.0 112.035 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.87 -47.03 86.82 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -61.82 -29.32 70.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.16 97.64 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -92.36 -22.37 19.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.786 0.327 . . . . 25.0 110.989 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.2 t -63.04 154.93 29.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.014 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.537 0 N-CA-C 110.977 -0.849 . . . . 25.0 110.977 -177.208 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm . . . . . 0 C--O 1.238 0.473 0 CA-C-O 121.336 0.589 . . . . 25.0 110.5 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.7 tp -137.85 136.91 37.59 Favored 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.15 148.88 51.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.499 0.59 . . . . 25.0 109.63 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.18 -43.89 95.51 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -26.99 67.16 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.754 0.706 . . . . 25.0 110.679 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -78.8 -23.51 45.12 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.39 -0.823 . . . . 25.0 109.502 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.4 tp -71.31 -28.76 64.33 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.575 -0.703 . . . . 25.0 110.063 173.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.602 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.0 ttpt -60.67 -31.59 70.83 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 120.454 -0.498 . . . . 25.0 109.995 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.8 -49.69 75.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.84 -45.74 93.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.33 -29.34 70.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.552 0.691 . . . . 25.0 111.825 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -81.98 -22.34 36.65 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 123.585 0.754 . . . . 25.0 112.388 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 37.5 m -105.26 -56.52 2.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -172.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -87.99 -24.11 23.63 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.922 -0.486 . . . . 25.0 111.574 -176.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.2 tp -105.11 10.37 33.93 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -51.13 -34.58 31.52 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.814 1.783 . . . . 25.0 115.814 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.35 -36.96 59.23 Favored Glycine 0 C--O 1.222 -0.597 0 C-N-CA 120.322 -0.942 . . . . 25.0 110.768 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.12 -29.63 65.49 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.889 -0.771 . . . . 25.0 109.398 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 25.1 tp -69.93 -43.23 72.04 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.88 -32.27 73.42 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.703 -0.68 . . . . 25.0 111.324 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.12 26.91 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -63.19 154.17 32.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.651 -0.5 . . . . 25.0 109.651 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -135.66 -54.66 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.022 0.439 . . . . 25.0 110.006 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -84.12 83.54 7.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.8 m -63.93 -28.73 45.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.996 -1.002 . . . . 25.0 112.596 -171.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.13 -35.48 80.6 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.14 -38.19 25.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.974 -0.557 . . . . 25.0 112.216 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -65.85 -39.06 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -80.54 -28.4 37.32 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.913 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -36.54 71.61 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 110.211 -0.292 . . . . 25.0 110.211 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.03 -43.04 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.397 0.617 . . . . 25.0 109.507 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.4 mmt -68.74 -50.69 48.58 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 112.482 0.549 . . . . 25.0 112.482 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -35.41 80.64 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.822 -0.351 . . . . 25.0 110.435 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -61.93 -43.85 97.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.72 -0.392 . . . . 25.0 110.348 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.602 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.92 -24.19 48.37 Favored 'General case' 0 C--O 1.206 -1.193 0 C-N-CA 118.879 -1.128 . . . . 25.0 110.437 -178.509 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.65 -25.81 67.61 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 111.963 0.357 . . . . 25.0 111.963 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -102.04 -23.23 14.12 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.375 0.607 . . . . 25.0 110.778 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -96.55 13.94 26.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.554 0.692 . . . . 25.0 109.618 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.7 -23.27 65.04 Favored Glycine 0 C--O 1.221 -0.669 0 N-CA-C 116.371 1.309 . . . . 25.0 116.371 -168.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -88.79 4.89 45.99 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.68 0.753 . . . . 25.0 110.229 -173.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.55 -156.14 31.53 Favored Glycine 0 N--CA 1.417 -2.624 0 N-CA-C 104.314 -3.514 . . . . 25.0 104.314 171.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.44 170.83 18.63 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.975 -0.721 . . . . 25.0 110.536 -173.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.25 165.52 17.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.754 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -123.01 -174.2 2.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 105.796 -1.928 . . . . 25.0 105.796 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -53.47 -48.35 68.96 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.467 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.3 tt0 -55.65 -45.77 77.59 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.315 0.507 . . . . 25.0 110.625 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -46.1 76.34 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-O 122.216 1.007 . . . . 25.0 108.75 -174.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -39.81 86.42 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.808 -1.087 . . . . 25.0 110.722 -177.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -71.04 -36.7 64.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 122.169 -0.332 . . . . 25.0 110.718 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 72' ' ' GLN . 58.4 t -59.52 -44.53 93.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 177.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -69.71 -37.57 76.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.893 0.378 . . . . 25.0 111.138 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.83 -43.91 99.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.9 83.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.038 -0.414 . . . . 25.0 110.567 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.36 90.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.315 0.578 . . . . 25.0 110.51 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.06 -32.33 68.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.655 0.741 . . . . 25.0 110.157 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 42.6 m -65.42 -44.97 85.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.067 -0.515 . . . . 25.0 110.489 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 72' ' ' GLN . 35.8 m -69.67 -22.44 25.13 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 N-CA-C 113.796 1.036 . . . . 25.0 113.796 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 CA-C-O 121.999 0.904 . . . . 25.0 110.82 170.589 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.239 0.521 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -62.0 -39.26 91.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.478 HD22 HD13 ' B' ' 41' ' ' LEU . 3.4 tt -64.71 -41.83 95.71 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 121.576 0.703 . . . . 25.0 110.772 177.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.04 -37.2 85.27 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 121.512 -0.743 . . . . 25.0 111.628 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.2 p -76.1 -26.86 56.83 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.7 98.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 172.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.9 mmm -71.92 -31.16 66.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -69.64 -26.55 64.47 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.88 -0.728 . . . . 25.0 109.567 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 m -62.92 -43.53 98.54 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.162 0.506 . . . . 25.0 109.996 172.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.07 -36.57 84.45 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.72 -48.3 85.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -58.93 -50.93 72.18 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.225 0.536 . . . . 25.0 111.698 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.2 p -67.05 -35.96 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-N 115.612 -0.722 . . . . 25.0 112.629 -177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.48 -45.84 92.29 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.94 -1.1 . . . . 25.0 109.479 173.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -74.58 -14.06 60.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.254 1.205 . . . . 25.0 114.254 -175.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.76 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -93.22 -25.24 17.89 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 p . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 121.469 0.652 . . . . 25.0 111.489 -174.954 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 . . . . . 0 N--CA 1.469 0.483 0 CA-C-O 121.196 0.522 . . . . 25.0 110.469 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -127.34 158.57 36.91 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.787 -0.642 . . . . 25.0 109.915 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.1 tp -138.94 131.85 29.38 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.344 -1.354 . . . . 25.0 107.344 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.8 OUTLIER -65.99 151.38 46.92 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.428 -0.17 . . . . 25.0 111.068 -179.435 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -63.83 -41.1 97.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -28.56 70.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.748 1.158 . . . . 25.0 110.504 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -80.4 -27.42 38.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.644 0.735 . . . . 25.0 110.428 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.41 HD11 ' HD1' ' A' ' 74' ' ' TYR . 14.9 tp -64.38 -34.3 77.85 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.916 -0.49 . . . . 25.0 110.071 175.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HB2' HD11 ' A' ' 61' ' ' LEU . 6.9 ttpp -56.04 -37.73 69.62 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.22 -0.445 . . . . 25.0 110.865 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.33 -48.42 75.65 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.22 -44.98 96.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.68 -30.5 71.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 25.0 111.731 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.91 -21.69 37.22 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 122.818 0.447 . . . . 25.0 112.102 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.3 m -104.31 -53.87 2.64 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 -173.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -89.95 -22.24 22.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.426 HD13 HD22 ' B' ' 4' ' ' LEU . 14.4 tp -109.42 10.35 25.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.733 -0.84 . . . . 25.0 108.733 176.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.94 -40.01 13.41 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 115.239 1.57 . . . . 25.0 115.239 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.29 80.02 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.102 -1.047 . . . . 25.0 113.397 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.2 m-30 -82.55 -29.58 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.711 -0.876 . . . . 25.0 108.929 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.0 tp -69.55 -42.3 74.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.973 0.416 . . . . 25.0 110.135 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.06 -35.23 79.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.606 0.717 . . . . 25.0 110.726 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.43 28.43 3.72 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.984 -0.553 . . . . 25.0 110.807 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.23 155.44 24.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.161 0.505 . . . . 25.0 110.667 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -128.61 -48.48 1.27 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.065 -0.717 . . . . 25.0 109.065 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -81.01 90.11 5.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 25.0 110.59 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.5 m -67.18 -23.54 30.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.673 -0.694 . . . . 25.0 111.743 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -78.15 -41.0 36.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.076 0.465 . . . . 25.0 110.289 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.47 -39.92 44.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.43 -37.68 80.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.036 -0.727 . . . . 25.0 109.036 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.62 -27.78 40.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.877 -0.601 . . . . 25.0 110.629 -176.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -60.0 -37.29 79.26 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.858 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.413 HG13 HD22 ' A' ' 77' ' ' LEU . 78.1 t -70.92 -44.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.844 0.83 . . . . 25.0 109.516 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.6 mmt -69.53 -45.96 67.61 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.8 -174.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -36.09 82.54 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.589 -0.152 . . . . 25.0 110.589 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -62.09 -46.92 86.93 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -79.41 -19.55 49.74 Favored 'General case' 0 C--O 1.208 -1.123 0 C-N-CA 119.672 -0.811 . . . . 25.0 110.55 -174.219 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.31 -30.62 71.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.408 0.623 . . . . 25.0 110.274 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -98.29 -28.19 13.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.705 0.764 . . . . 25.0 110.307 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -98.37 17.17 19.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.365 -0.834 . . . . 25.0 111.584 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.73 -19.33 62.8 Favored Glycine 0 CA--C 1.502 -0.72 0 CA-C-O 121.389 0.438 . . . . 25.0 114.019 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -84.36 -4.49 58.92 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.741 0.782 . . . . 25.0 109.639 -173.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.59 -162.0 37.88 Favored Glycine 0 N--CA 1.423 -2.214 0 N-CA-C 106.506 -2.637 . . . . 25.0 106.506 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 18.2 pt-20 -150.23 165.58 32.52 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.152 -1.024 . . . . 25.0 109.443 -175.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.22 167.68 22.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.087 -0.96 . . . . 25.0 108.906 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -119.52 -174.15 2.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 104.921 -2.251 . . . . 25.0 104.921 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -52.89 -46.43 67.97 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 113.045 0.757 . . . . 25.0 113.045 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.499 ' HB2' HG11 ' B' ' 83' ' ' VAL . 62.4 tt0 -55.22 -49.7 71.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.492 0.587 . . . . 25.0 111.033 -177.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -73.18 -38.22 66.24 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 121.614 0.721 . . . . 25.0 109.627 -172.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.41 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -59.21 -41.37 88.42 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.575 -0.739 . . . . 25.0 109.809 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.3 t -71.49 -36.78 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 122.176 -0.328 . . . . 25.0 111.134 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.67 -44.34 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.413 HD22 HG13 ' A' ' 57' ' ' VAL . 25.1 mt -71.5 -35.54 70.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.309 -178.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.04 -43.64 97.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 175.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.3 83.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.955 -0.466 . . . . 25.0 110.915 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.54 99.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.313 0.578 . . . . 25.0 109.905 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -34.89 75.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.52 0.676 . . . . 25.0 109.976 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.8 m -63.32 -41.67 98.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.819 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.1 m -76.35 -23.98 15.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 O-C-N 121.042 -1.036 . . . . 25.0 111.956 177.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.376 0 CA-C-O 122.433 1.111 . . . . 25.0 108.697 172.615 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 C--O 1.237 0.414 0 N-CA-C 108.72 -0.845 . . . . 25.0 108.72 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -61.58 -34.58 75.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.355 0.598 . . . . 25.0 109.735 176.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.426 HD22 HD13 ' A' ' 41' ' ' LEU . 3.3 tt -68.14 -41.76 81.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.196 0.522 . . . . 25.0 110.738 178.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.41 -40.18 95.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.464 -0.773 . . . . 25.0 110.683 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.9 p -71.51 -27.92 63.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.654 -0.418 . . . . 25.0 110.622 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.68 97.24 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.3 mmm -71.15 -31.98 68.37 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -67.71 -28.44 67.66 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.603 -0.686 . . . . 25.0 109.521 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.0 m -63.77 -43.19 97.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.092 0.472 . . . . 25.0 110.398 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.09 -37.78 88.69 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.06 -0.719 . . . . 25.0 109.06 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.26 -47.48 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.052 -0.722 . . . . 25.0 109.052 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -57.41 -50.8 71.84 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -70.92 -35.16 58.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 N-CA-C 112.661 0.615 . . . . 25.0 112.661 -175.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.78 -45.83 91.07 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.264 -0.897 . . . . 25.0 109.448 173.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -73.43 -14.1 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.12 1.156 . . . . 25.0 114.12 -175.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.51 94.86 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 175.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -94.08 -19.88 20.43 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.9 p -62.03 163.79 7.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.671 0 C-N-CA 120.923 -0.656 . . . . 25.0 112.787 -179.415 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm . . . . . 0 C--O 1.235 0.325 0 CA-C-O 121.243 0.544 . . . . 25.0 111.975 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.6 tp -141.13 135.63 31.09 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 108.141 -1.059 . . . . 25.0 108.141 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 1.0 OUTLIER -63.86 147.93 50.65 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 -179.585 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -63.65 -48.58 76.66 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.472 -0.767 . . . . 25.0 112.508 -177.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.462 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.88 -33.58 67.01 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.429 0.529 . . . . 25.0 112.429 176.488 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.05 -30.69 62.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.625 0.726 . . . . 25.0 110.875 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.2 -28.8 70.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.041 -0.527 . . . . 25.0 111.635 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.528 ' HB2' HD11 ' B' ' 61' ' ' LEU . 36.4 ttpt -61.89 -37.12 83.38 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 120.702 -0.399 . . . . 25.0 110.381 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.25 -44.11 84.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.27 -45.85 92.79 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.023 -0.535 . . . . 25.0 109.836 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.73 -29.46 70.68 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 121.4 0.619 . . . . 25.0 111.893 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -81.93 -20.55 38.44 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.014 0.526 . . . . 25.0 111.2 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -99.24 -55.27 2.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.739 -0.664 . . . . 25.0 111.95 -177.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -88.83 -18.65 27.21 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.478 HD13 HD22 ' A' ' 4' ' ' LEU . 8.4 tp -117.12 13.09 14.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.501 0.667 . . . . 25.0 109.791 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.54 -37.27 11.84 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 115.209 1.559 . . . . 25.0 115.209 175.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.95 -28.95 71.16 Favored Glycine 0 C--O 1.226 -0.391 0 C-N-CA 120.833 -0.699 . . . . 25.0 112.49 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -78.78 -26.83 44.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.687 -0.89 . . . . 25.0 108.741 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.43 -40.14 70.59 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.444 -0.576 . . . . 25.0 109.444 175.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.49 -33.15 74.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.455 0.645 . . . . 25.0 111.512 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.21 25.85 8.38 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.979 -0.555 . . . . 25.0 111.124 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -63.32 151.6 40.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.077 0.465 . . . . 25.0 109.963 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -127.44 -49.2 1.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.712 -0.848 . . . . 25.0 108.712 177.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -88.25 91.58 8.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.754 -0.657 . . . . 25.0 109.824 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.92 -30.28 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.647 -0.706 . . . . 25.0 111.504 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.56 -38.63 84.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.494 0.664 . . . . 25.0 110.103 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.61 -39.61 36.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.97 -0.559 . . . . 25.0 111.737 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.07 -39.21 79.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.803 -0.443 . . . . 25.0 109.803 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -79.45 -26.79 41.68 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 116.38 -0.373 . . . . 25.0 110.564 -176.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -55.83 -43.26 76.83 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.55 -43.5 90.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.56 0.695 . . . . 25.0 109.666 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.9 mmt -69.05 -49.21 59.5 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.79 -0.641 . . . . 25.0 112.211 -175.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -37.2 86.01 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 121.005 -0.278 . . . . 25.0 110.576 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.99 -46.1 90.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.92 -21.59 50.91 Favored 'General case' 0 C--O 1.209 -1.068 0 C-N-CA 119.133 -1.027 . . . . 25.0 110.492 -175.515 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.28 -27.87 69.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.305 0.574 . . . . 25.0 110.365 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -101.28 -22.73 14.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.535 0.684 . . . . 25.0 110.528 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -95.81 16.53 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.902 -0.59 . . . . 25.0 109.56 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.4 20.34 2.72 Favored Glycine 0 C--O 1.218 -0.855 0 CA-C-O 121.636 0.576 . . . . 25.0 113.623 -176.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -100.94 -30.11 11.83 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 174.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.38 -152.31 27.13 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 122.812 1.229 . . . . 25.0 114.649 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.461 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 9.8 pt-20 -148.78 171.11 16.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 113.598 -1.301 . . . . 25.0 110.376 -170.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 m -141.09 170.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.088 -0.96 . . . . 25.0 108.749 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -117.85 -174.12 2.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 105.734 -1.95 . . . . 25.0 105.734 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.52 -46.9 70.27 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 113.063 0.764 . . . . 25.0 113.063 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.448 ' O ' HG23 ' B' ' 76' ' ' VAL . 65.7 tt0 -54.69 -48.93 71.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 118.143 0.429 . . . . 25.0 111.0 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.38 -36.34 66.05 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.568 0.699 . . . . 25.0 109.785 -172.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -40.02 89.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.796 -0.638 . . . . 25.0 109.342 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 86.4 t -72.63 -35.89 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.257 -0.277 . . . . 25.0 110.985 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 72' ' ' GLN . 57.7 t -57.71 -44.97 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 176.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.4 mt -70.9 -37.03 72.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.353 -0.385 . . . . 25.0 111.411 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.23 -44.42 99.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.38 -37.61 87.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.098 -0.376 . . . . 25.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.29 97.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.28 0.562 . . . . 25.0 110.448 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.14 -36.56 77.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.453 0.644 . . . . 25.0 109.581 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -61.71 -43.4 98.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.152 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.499 HG11 ' HB2' ' A' ' 72' ' ' GLN . 23.3 m -71.65 -23.96 22.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 119.317 0.962 . . . . 25.0 113.195 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 121.575 0.703 . . . . 25.0 110.005 174.533 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p . . . . . 0 C--O 1.238 0.475 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.86 -29.39 69.83 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 120.552 -0.459 . . . . 25.0 109.965 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.542 HD12 HG11 ' B' ' 14' ' ' VAL . 1.5 tt -66.52 -42.93 86.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.46 0.648 . . . . 25.0 109.662 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.73 -42.16 97.95 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.596 -0.69 . . . . 25.0 110.005 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 p -71.5 -27.25 63.09 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.568 -0.453 . . . . 25.0 110.632 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.39 87.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -71.66 -30.57 65.88 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.49 0.552 . . . . 25.0 112.49 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -70.26 -27.45 64.45 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 m -65.85 -42.98 89.8 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.86 -35.07 75.65 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.789 -0.819 . . . . 25.0 108.789 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -67.13 -45.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.62 -50.53 73.49 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.332 0.587 . . . . 25.0 110.342 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.435 HG11 HD12 ' B' ' 4' ' ' LEU . 73.0 t -62.49 -42.78 97.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.322 -0.854 . . . . 25.0 111.151 -178.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.42 -48.38 81.45 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.758 -0.589 . . . . 25.0 110.859 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -64.85 -23.3 67.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.753 0.279 . . . . 25.0 111.753 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.04 79.07 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.879 0.326 . . . . 25.0 111.879 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -102.43 -17.25 15.9 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.901 0.382 . . . . 25.0 111.08 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 CA--C 1.506 -0.744 0 CA-C-O 121.886 0.85 . . . . 25.0 111.789 -178.836 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 CA--C 1.518 -0.264 0 N-CA-C 110.624 -0.139 . . . . 25.0 110.624 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -126.23 148.23 49.51 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.762 0.791 . . . . 25.0 111.387 -176.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.66 133.14 31.98 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 106.314 -1.736 . . . . 25.0 106.314 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.456 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -64.09 147.63 51.74 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 121.071 -0.252 . . . . 25.0 110.787 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -60.32 -51.45 69.45 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.398 -0.814 . . . . 25.0 112.981 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -30.76 68.17 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -78.19 -23.75 47.46 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.486 -0.325 . . . . 25.0 110.827 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.499 HD11 ' HD1' ' A' ' 74' ' ' TYR . 37.3 tp -69.81 -26.43 64.24 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 121.482 -0.761 . . . . 25.0 110.212 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.646 ' HB2' HD11 ' A' ' 61' ' ' LEU . 33.7 ttpt -61.69 -32.36 72.55 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 120.282 -0.567 . . . . 25.0 109.63 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.97 -47.58 85.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.64 -44.02 97.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.195 0.522 . . . . 25.0 109.835 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.75 -28.68 69.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.668 0.747 . . . . 25.0 111.721 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -81.89 -22.42 36.88 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 123.5 0.72 . . . . 25.0 111.484 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.1 m -101.78 -59.69 1.66 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.466 0.913 . . . . 25.0 113.466 -173.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.3 -43.15 19.54 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 122.021 0.915 . . . . 25.0 110.372 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tp -89.29 11.41 19.03 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.915 -1.039 . . . . 25.0 109.715 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -52.5 -37.33 57.16 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 115.381 1.623 . . . . 25.0 115.381 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.58 -37.79 52.23 Favored Glycine 0 C--O 1.226 -0.39 0 N-CA-C 110.057 -1.217 . . . . 25.0 110.057 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -66.88 -26.21 66.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.247 -0.476 . . . . 25.0 110.437 176.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.2 tp -78.43 -44.51 24.57 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.431 0.692 . . . . 25.0 110.617 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -65.73 -30.65 71.35 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.766 -0.652 . . . . 25.0 111.848 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.1 21.89 4.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.108 -0.37 . . . . 25.0 110.179 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.72 152.63 30.57 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.193 0.52 . . . . 25.0 110.133 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -133.62 -48.9 0.83 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.383 0.611 . . . . 25.0 109.619 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -83.53 82.08 8.45 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.4 m -63.28 -22.7 31.42 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 115.325 -0.852 . . . . 25.0 112.115 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.33 -43.13 67.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.569 -0.53 . . . . 25.0 109.569 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.51 -34.7 60.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.386 0.513 . . . . 25.0 112.386 -174.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.41 -36.68 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -79.99 -23.99 41.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.588 -0.733 . . . . 25.0 110.952 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.45 -23.44 64.44 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 116.558 -0.292 . . . . 25.0 110.98 174.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.1 t -92.9 -48.4 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.762 0.791 . . . . 25.0 110.406 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.1 mmt -68.22 -52.8 30.14 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 -173.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -35.98 82.15 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -58.88 -49.29 78.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.447 -0.501 . . . . 25.0 109.932 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.74 -21.0 48.65 Favored 'General case' 0 C--O 1.206 -1.217 0 C-N-CA 119.153 -1.019 . . . . 25.0 109.852 -174.183 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.62 -25.08 66.42 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 122.1 -0.375 . . . . 25.0 110.492 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -100.18 -27.05 13.72 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.509 0.671 . . . . 25.0 110.531 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -95.19 19.74 10.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.937 0.875 . . . . 25.0 109.278 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.9 32.29 2.72 Favored Glycine 0 C--O 1.216 -1.003 0 CA-C-N 115.326 -0.852 . . . . 25.0 112.758 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -115.88 -7.82 11.98 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 120.616 0.246 . . . . 25.0 111.173 171.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.43 -156.46 30.37 Favored Glycine 0 N--CA 1.435 -1.399 0 CA-C-O 122.964 1.314 . . . . 25.0 110.611 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -149.61 159.27 44.46 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 113.186 -1.507 . . . . 25.0 108.993 -174.693 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.07 170.5 16.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 123.386 0.674 . . . . 25.0 110.521 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -119.53 -174.13 2.67 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -53.57 -47.75 69.81 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 113.183 0.808 . . . . 25.0 113.183 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.529 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.4 tt0 -55.01 -45.25 75.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 118.082 0.401 . . . . 25.0 110.629 -177.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.03 -42.88 65.82 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 122.018 0.913 . . . . 25.0 109.891 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.499 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -57.17 -40.79 77.99 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.902 -1.044 . . . . 25.0 110.477 -179.648 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.7 t -71.9 -36.91 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 122.252 -0.28 . . . . 25.0 111.004 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.31 -45.25 93.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 177.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.1 mt -68.39 -37.86 80.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.185 0.517 . . . . 25.0 110.846 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.7 t -63.35 -43.8 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.292 -0.413 . . . . 25.0 110.051 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.31 86.25 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.999 -0.438 . . . . 25.0 110.566 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.33 96.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.376 0.608 . . . . 25.0 110.046 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.56 -37.94 80.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.351 0.596 . . . . 25.0 109.952 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.3 m -60.73 -47.91 84.18 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.389 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.536 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.3 m -64.54 -23.58 33.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 N-CA-C 113.207 0.818 . . . . 25.0 113.207 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.959 0 N-CA-C 113.293 0.849 . . . . 25.0 113.293 172.364 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.37 -44.04 95.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.198 0.523 . . . . 25.0 111.518 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.435 HD12 HG11 ' A' ' 14' ' ' VAL . 2.7 tt -66.02 -39.9 90.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.011 0.91 . . . . 25.0 109.576 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -65.76 -38.42 89.03 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 121.832 -0.542 . . . . 25.0 111.126 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.2 p -71.8 -27.97 63.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.464 -0.495 . . . . 25.0 110.111 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.68 89.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -71.8 -31.46 66.59 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.98 -27.24 64.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.0 m -64.29 -43.04 96.01 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.981 0.42 . . . . 25.0 110.179 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.32 -35.52 77.62 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.701 -0.481 . . . . 25.0 109.701 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -65.52 -45.49 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -57.61 -50.13 74.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 25.0 110.526 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.542 HG11 HD12 ' A' ' 4' ' ' LEU . 89.0 t -62.66 -43.1 98.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.411 -0.813 . . . . 25.0 111.754 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -61.92 -46.99 86.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.839 -0.538 . . . . 25.0 110.415 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -67.08 -25.42 66.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.394 -0.366 . . . . 25.0 111.829 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.92 80.38 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.184 0.438 . . . . 25.0 112.184 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -99.41 -10.63 21.98 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 120.817 0.341 . . . . 25.0 110.879 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.2 m -65.98 156.75 32.68 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.924 0.868 . . . . 25.0 111.155 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.439 0 CA-C-N 115.087 -0.961 . . . . 25.0 111.55 -177.324 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 121.17 0.51 . . . . 25.0 110.397 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.19 138.07 41.54 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 106.406 -1.701 . . . . 25.0 106.406 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -65.9 152.58 44.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -179.322 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -65.5 -52.02 55.8 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.215 0.916 . . . . 25.0 112.142 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -30.84 64.66 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.627 -0.67 . . . . 25.0 112.062 177.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -81.03 -23.53 38.54 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 121.218 0.532 . . . . 25.0 111.192 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.412 HD11 ' HD1' ' B' ' 74' ' ' TYR . 15.3 tp -66.48 -31.36 72.04 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 121.465 -0.772 . . . . 25.0 109.96 175.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.667 ' HB2' HD11 ' B' ' 61' ' ' LEU . 34.5 ttpt -60.12 -32.65 71.2 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.497 178.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -66.18 -48.72 69.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.33 -45.56 91.03 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.51 -30.18 71.09 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.06 -0.518 . . . . 25.0 111.579 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -81.47 -21.76 38.52 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 113.253 0.835 . . . . 25.0 113.253 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 35.5 m -100.75 -48.66 4.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.568 -1.651 . . . . 25.0 111.986 -173.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -94.18 -39.99 10.26 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.425 HD13 HD22 ' A' ' 4' ' ' LEU . 12.0 tp -90.57 10.61 24.84 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.298 1.047 . . . . 25.0 108.477 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -37.36 27.8 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 115.624 1.713 . . . . 25.0 115.624 177.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.98 -29.24 73.41 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 118.543 0.61 . . . . 25.0 112.173 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -80.7 -28.09 36.77 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.887 -0.773 . . . . 25.0 109.355 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.29 -40.8 77.49 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.259 0.349 . . . . 25.0 110.353 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.84 -35.6 81.12 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.894 0.854 . . . . 25.0 110.605 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.86 38.32 1.95 Allowed 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.532 -0.758 . . . . 25.0 109.888 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -71.28 157.6 37.83 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -135.36 -42.94 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -85.11 89.84 7.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 30.0 m -67.6 -22.12 28.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.844 -0.616 . . . . 25.0 111.944 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.73 -46.58 21.38 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.07 64.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -176.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.72 -37.8 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.31 -31.08 38.23 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.903 -0.589 . . . . 25.0 110.786 -174.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -64.08 -33.86 76.72 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.5 t -69.18 -40.66 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.9 mmt -70.21 -48.48 56.87 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 115.03 -0.986 . . . . 25.0 111.624 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -37.08 86.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.266 -0.272 . . . . 25.0 110.266 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -59.52 -48.55 81.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.72 -20.5 53.44 Favored 'General case' 0 C--O 1.212 -0.898 0 C-N-CA 118.854 -1.138 . . . . 25.0 110.082 -173.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.7 -25.01 65.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.902 0.382 . . . . 25.0 110.617 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -101.31 -25.71 13.87 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.167 0.508 . . . . 25.0 110.292 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -94.88 25.34 4.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.104 -1.072 . . . . 25.0 108.104 174.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.77 29.9 4.0 Favored Glycine 0 C--O 1.224 -0.473 0 CA-C-O 122.206 0.892 . . . . 25.0 110.902 -177.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -104.53 -29.88 10.38 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.979 -0.61 . . . . 25.0 110.497 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -101.08 -149.44 23.06 Favored Glycine 0 N--CA 1.437 -1.273 0 CA-C-O 122.349 0.972 . . . . 25.0 114.271 -173.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.452 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 10.9 pt-20 -149.72 156.49 41.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.217 -0.992 . . . . 25.0 110.616 -171.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -128.58 174.13 12.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.313 -0.858 . . . . 25.0 110.56 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -124.04 -174.47 3.0 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -52.38 -47.88 65.93 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 113.293 0.849 . . . . 25.0 113.293 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.536 ' HB2' HG11 ' A' ' 83' ' ' VAL . 64.5 tt0 -55.46 -46.95 76.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.421 0.555 . . . . 25.0 111.442 -177.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -42.84 70.37 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 122.184 0.993 . . . . 25.0 109.156 -173.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.412 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -59.56 -40.11 86.2 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.01 -0.995 . . . . 25.0 110.611 -179.202 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.2 t -71.45 -36.47 60.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 121.113 -0.235 . . . . 25.0 110.856 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 72' ' ' GLN . 61.8 t -58.52 -46.02 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.8 mt -69.98 -37.19 75.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.923 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 t -62.8 -43.54 98.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.14 84.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.056 -0.403 . . . . 25.0 110.728 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.78 98.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.27 0.557 . . . . 25.0 110.284 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.87 -34.34 73.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.352 0.596 . . . . 25.0 109.811 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 88.7 m -62.95 -42.4 99.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.032 -0.418 . . . . 25.0 111.428 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.529 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.8 m -72.49 -26.35 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 119.412 1.005 . . . . 25.0 111.346 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 122.147 0.975 . . . . 25.0 110.002 173.038 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 C--O 1.238 0.484 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -35.33 78.07 Favored 'General case' 0 C--O 1.214 -0.813 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.096 177.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.609 HD22 HD13 ' B' ' 41' ' ' LEU . 2.5 tt -66.58 -42.3 87.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.349 0.595 . . . . 25.0 110.612 177.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -64.97 -41.65 95.27 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.707 -0.621 . . . . 25.0 110.684 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.3 p -74.0 -28.46 61.46 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.081 -0.34 . . . . 25.0 110.081 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -47.15 86.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.037 -1.097 . . . . 25.0 108.037 175.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.7 mmm -69.71 -32.27 70.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.876 -0.515 . . . . 25.0 111.985 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -67.46 -31.0 70.86 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 m -63.76 -43.4 96.55 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 174.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.74 -37.25 85.83 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.03 -48.26 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.427 -0.583 . . . . 25.0 109.427 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -59.81 -49.52 77.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.848 0.356 . . . . 25.0 111.601 -177.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 p -69.34 -34.59 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 122.31 -0.244 . . . . 25.0 110.854 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -61.12 -46.74 89.34 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.432 -0.793 . . . . 25.0 110.07 172.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -63.08 -30.68 71.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 25.0 111.588 -177.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.2 -39.01 77.88 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -95.06 -13.84 24.81 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.747 0.277 . . . . 25.0 111.747 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--N 1.327 -0.395 0 N-CA-C 113.601 0.963 . . . . 25.0 113.601 -177.498 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 110.75 -0.093 . . . . 25.0 110.75 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -124.56 138.85 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.689 0.757 . . . . 25.0 111.539 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.52 134.37 48.66 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.16 153.68 42.83 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 119.548 -0.861 . . . . 25.0 109.652 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -64.06 -43.62 94.92 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 113.422 0.897 . . . . 25.0 113.422 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -30.57 71.65 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.446 1.021 . . . . 25.0 110.189 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -77.99 -27.77 49.15 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.353 -0.839 . . . . 25.0 110.169 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.409 HD22 HG21 ' A' ' 69' ' ' VAL . 18.2 tp -63.7 -33.58 75.95 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 121.919 -0.488 . . . . 25.0 110.67 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.578 ' HB2' HD11 ' A' ' 61' ' ' LEU . 33.7 ttpt -60.5 -32.41 71.42 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 120.729 -0.389 . . . . 25.0 110.743 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.25 -48.73 76.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.18 -46.21 90.48 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.119 -0.697 . . . . 25.0 109.119 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.68 -31.08 72.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 25.0 111.892 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -81.98 -22.4 36.62 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 122.876 0.471 . . . . 25.0 111.874 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.0 m -97.88 -59.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.581 0.586 . . . . 25.0 112.581 -175.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -85.94 -25.56 26.01 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.391 0.515 . . . . 25.0 112.391 -174.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.501 HD13 HD22 ' B' ' 4' ' ' LEU . 11.9 tp -103.56 10.76 36.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 176.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -48.02 -39.15 18.89 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.677 1.732 . . . . 25.0 115.677 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.27 65.02 Favored Glycine 0 C--N 1.324 -0.098 0 N-CA-C 110.7 -0.96 . . . . 25.0 110.7 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -70.03 -32.66 70.9 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.778 -0.837 . . . . 25.0 108.906 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -41.95 76.45 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 120.782 0.325 . . . . 25.0 110.889 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.69 -35.77 80.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.666 0.746 . . . . 25.0 111.004 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.8 29.08 3.53 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.76 -0.655 . . . . 25.0 110.156 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.4 153.18 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -126.4 -50.23 1.53 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -86.01 82.12 8.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.867 0.841 . . . . 25.0 109.208 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.41 -23.03 32.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 114.909 -1.041 . . . . 25.0 113.452 -174.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.32 -42.94 61.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.31 0.576 . . . . 25.0 109.703 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.77 62.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.875 -174.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -64.6 -37.9 81.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -77.42 -28.05 52.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.485 -0.78 . . . . 25.0 111.814 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -55.75 -39.96 71.9 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 122.353 -0.217 . . . . 25.0 110.994 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.8 t -74.26 -45.62 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.367 0.603 . . . . 25.0 110.105 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -67.72 -47.18 70.09 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 -173.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -65.77 -35.3 80.33 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.774 -0.371 . . . . 25.0 110.523 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -47.55 81.62 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 177.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -76.48 -20.47 56.96 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 119.704 -0.798 . . . . 25.0 109.721 -172.052 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -24.67 67.91 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.508 -0.477 . . . . 25.0 111.099 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -102.83 -27.44 12.66 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.627 0.727 . . . . 25.0 111.237 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -97.11 13.97 27.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.524 -0.762 . . . . 25.0 110.871 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.41 -19.53 62.3 Favored Glycine 0 C--O 1.219 -0.798 0 N-CA-C 114.958 0.743 . . . . 25.0 114.958 -171.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -87.29 3.84 45.15 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.842 0.829 . . . . 25.0 109.886 -172.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.34 -158.44 34.07 Favored Glycine 0 N--CA 1.421 -2.335 0 N-CA-C 106.402 -2.679 . . . . 25.0 106.402 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.74 165.43 35.34 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.817 -0.692 . . . . 25.0 109.86 -174.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.409 HG21 HD22 ' A' ' 33' ' ' LEU . 2.5 m -140.2 167.65 18.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.068 -0.969 . . . . 25.0 109.214 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -123.06 -174.17 2.88 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 105.491 -2.04 . . . . 25.0 105.491 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -52.37 -46.96 66.42 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' HB2' HG11 ' B' ' 83' ' ' VAL . 59.1 tt0 -55.11 -48.12 74.05 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.517 0.599 . . . . 25.0 111.064 -178.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -73.02 -40.83 64.84 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-O 121.873 0.844 . . . . 25.0 108.861 -171.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -42.36 86.91 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.065 -0.971 . . . . 25.0 110.08 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.6 t -71.1 -37.38 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 122.027 -0.421 . . . . 25.0 111.306 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.15 -43.91 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.38 -36.28 71.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.547 -0.297 . . . . 25.0 111.532 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.5 t -62.65 -43.06 98.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 175.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.1 83.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.152 -0.343 . . . . 25.0 110.763 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.73 94.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 25.0 110.469 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.21 -34.48 72.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.127 0.489 . . . . 25.0 109.797 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.1 m -64.14 -42.35 96.83 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 122.21 -0.307 . . . . 25.0 111.22 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.49 HG11 ' HB2' ' B' ' 72' ' ' GLN . 33.3 m -73.52 -19.04 17.9 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 O-C-N 121.353 -0.842 . . . . 25.0 112.189 177.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.942 0 CA-C-O 121.954 0.883 . . . . 25.0 110.965 169.946 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 N--CA 1.468 0.427 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -63.98 -31.11 72.17 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.071 -0.652 . . . . 25.0 110.227 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.501 HD22 HD13 ' A' ' 41' ' ' LEU . 5.0 tt -67.77 -43.13 80.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.849 0.833 . . . . 25.0 109.114 178.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.14 -35.58 76.53 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.76 -0.587 . . . . 25.0 111.072 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.7 p -73.31 -27.48 61.56 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.265 -0.574 . . . . 25.0 109.636 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.22 91.99 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 107.442 -1.318 . . . . 25.0 107.442 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.8 mmm -70.95 -32.43 69.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.48 -27.94 66.59 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.603 -0.685 . . . . 25.0 109.177 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.6 m -63.78 -42.82 97.69 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.24 -37.07 85.79 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -63.69 -48.83 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -60.53 -45.66 93.02 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 112.407 0.521 . . . . 25.0 112.407 -177.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 p -73.35 -34.85 44.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 119.235 -0.412 . . . . 25.0 111.424 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -59.04 -49.95 75.96 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.989 0.813 . . . . 25.0 108.843 172.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -62.28 -23.7 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.047 -0.979 . . . . 25.0 113.5 -175.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.89 97.57 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.355 -0.216 . . . . 25.0 111.464 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -91.54 -17.9 24.94 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.445 0.165 . . . . 25.0 111.445 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -56.94 154.81 8.9 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.26 0 N-CA-C 115.279 0.871 . . . . 25.0 115.279 176.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm . . . . . 0 CA--C 1.515 -0.392 0 N-CA-C 109.028 -0.73 . . . . 25.0 109.028 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 138.49 24.93 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 105.941 -1.874 . . . . 25.0 105.941 170.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -70.26 151.61 45.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 119.033 0.833 . . . . 25.0 109.983 -177.22 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -61.26 -42.21 98.23 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.53 0.937 . . . . 25.0 113.53 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -28.4 68.77 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.393 0.997 . . . . 25.0 110.72 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.18 -23.51 47.57 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 tp -70.34 -30.67 67.68 Favored 'General case' 0 C--O 1.219 -0.538 0 O-C-N 121.787 -0.57 . . . . 25.0 110.062 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.589 ' HB2' HD11 ' B' ' 61' ' ' LEU . 35.9 ttpt -61.9 -34.46 76.09 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -65.71 -49.39 68.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.809 -0.811 . . . . 25.0 108.809 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.33 -45.35 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.366 0.603 . . . . 25.0 110.121 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.26 -29.78 71.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.136 0.493 . . . . 25.0 111.286 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -81.89 -22.39 36.88 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.984 0.364 . . . . 25.0 111.984 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -98.62 -54.37 3.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.692 -0.685 . . . . 25.0 111.485 -173.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -91.09 -26.89 18.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.181 0.515 . . . . 25.0 112.382 -173.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.609 HD13 HD22 ' A' ' 4' ' ' LEU . 11.1 tp -105.87 12.21 30.96 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.593 0.711 . . . . 25.0 109.312 177.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.08 -39.15 8.9 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.428 1.64 . . . . 25.0 115.428 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.99 -32.82 77.8 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.007 -1.092 . . . . 25.0 113.065 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -70.8 -27.69 64.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.508 -0.996 . . . . 25.0 109.258 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.0 mt -77.93 -37.48 47.59 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.642 0.589 . . . . 25.0 111.215 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.8 -34.49 78.28 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 122.074 0.94 . . . . 25.0 109.519 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.72 31.75 4.27 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 115.12 -0.945 . . . . 25.0 110.639 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -62.9 162.57 10.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.973 0.416 . . . . 25.0 109.92 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -136.31 -61.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.083 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -76.86 92.14 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.1 m -66.22 -27.34 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.429 -175.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.45 -43.46 49.47 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.06 -40.07 63.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.047 -0.408 . . . . 25.0 112.072 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.84 -39.67 85.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -30.23 36.74 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.03 0.443 . . . . 25.0 111.062 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -58.28 -36.65 73.6 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 110.121 -0.325 . . . . 25.0 110.121 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.62 -42.43 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.886 -0.783 . . . . 25.0 108.886 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.8 mmt -67.69 -49.43 62.76 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -36.3 83.21 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.693 -0.403 . . . . 25.0 110.613 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.87 -41.39 99.36 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.677 -0.409 . . . . 25.0 110.353 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -78.04 -24.57 47.72 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 118.875 -1.13 . . . . 25.0 110.432 -179.552 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.14 -26.51 67.74 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.142 0.423 . . . . 25.0 112.142 -176.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -102.38 -20.36 14.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.399 0.619 . . . . 25.0 110.826 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -98.17 12.31 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.808 -0.633 . . . . 25.0 109.619 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.91 -22.22 66.35 Favored Glycine 0 C--O 1.221 -0.665 0 N-CA-C 116.495 1.358 . . . . 25.0 116.495 -167.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -91.37 5.25 50.06 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 121.55 0.69 . . . . 25.0 111.039 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.5 -160.66 36.5 Favored Glycine 0 N--CA 1.417 -2.613 0 N-CA-C 103.376 -3.89 . . . . 25.0 103.376 171.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.446 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.1 OUTLIER -146.98 167.01 25.08 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 122.156 -0.614 . . . . 25.0 110.47 -174.264 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.8 m -134.94 167.08 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.15 -0.932 . . . . 25.0 109.84 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -122.03 -173.98 2.78 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 104.773 -2.306 . . . . 25.0 104.773 172.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -52.4 -47.71 66.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.701 1.0 . . . . 25.0 113.701 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.49 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.2 tt0 -56.62 -47.18 80.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.75 0.705 . . . . 25.0 111.323 -177.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.71 -44.12 74.58 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 122.272 1.034 . . . . 25.0 108.648 -173.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -39.09 89.07 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.995 -1.002 . . . . 25.0 110.436 -176.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.9 t -71.46 -36.58 61.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 122.251 -0.281 . . . . 25.0 110.484 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 72' ' ' GLN . 59.7 t -58.34 -45.15 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 176.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 48.1 mt -69.45 -37.31 77.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.75 0.309 . . . . 25.0 111.433 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.0 t -63.4 -43.11 98.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.0 86.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.041 -0.412 . . . . 25.0 110.547 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.2 96.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.311 0.577 . . . . 25.0 110.392 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.04 -34.82 75.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.682 0.753 . . . . 25.0 109.711 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 44.6 m -64.93 -43.6 92.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.111 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.515 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.3 m -70.81 -21.96 22.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.668 0 CA-C-O 122.133 0.968 . . . . 25.0 108.727 171.727 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -58.82 -45.22 90.46 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.482 0.658 . . . . 25.0 111.634 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.415 HD12 HG11 ' B' ' 14' ' ' VAL . 2.7 tt -66.67 -39.73 88.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.047 0.927 . . . . 25.0 109.308 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -67.32 -36.38 81.34 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 121.448 -0.782 . . . . 25.0 111.205 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 p -71.52 -28.13 63.68 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.504 -0.478 . . . . 25.0 109.803 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.41 -46.91 84.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.9 mmm -71.87 -32.11 67.13 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -70.67 -25.54 63.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -66.01 -43.29 88.1 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 122.046 -0.409 . . . . 25.0 110.179 171.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.89 -36.09 76.21 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.83 -46.09 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.678 -0.49 . . . . 25.0 109.678 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.87 -48.5 81.17 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.189 0.518 . . . . 25.0 110.801 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.419 HG11 HD12 ' B' ' 4' ' ' LEU . 78.4 t -63.35 -43.66 98.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.556 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.62 -49.6 75.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.385 0.612 . . . . 25.0 109.907 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -59.1 -31.3 68.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.462 -0.79 . . . . 25.0 112.06 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.67 85.24 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.137 0.421 . . . . 25.0 112.137 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -90.39 -20.22 23.08 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.347 0.499 . . . . 25.0 112.347 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 114.121 1.156 . . . . 25.0 114.121 -176.602 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 109.909 -0.404 . . . . 25.0 109.909 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -119.84 160.19 23.12 Favored 'General case' 0 CA--C 1.509 -0.599 0 C-N-CA 123.891 0.876 . . . . 25.0 111.397 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 tp -142.71 128.64 19.52 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.782 -1.562 . . . . 25.0 106.782 170.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -64.27 146.87 53.64 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.816 -0.809 . . . . 25.0 108.816 -178.601 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -60.58 -41.33 94.42 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 113.396 0.887 . . . . 25.0 113.396 -174.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -28.46 69.42 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.821 -1.175 . . . . 25.0 110.251 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -81.59 -24.9 36.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.504 0.669 . . . . 25.0 109.525 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.44 HD11 ' HD1' ' A' ' 74' ' ' TYR . 8.7 tp -67.2 -37.02 82.94 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 173.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.629 ' HB2' HD11 ' A' ' 61' ' ' LEU . 31.7 ttpt -60.43 -33.58 72.73 Favored 'General case' 0 C--O 1.215 -0.757 0 C-N-CA 120.403 -0.519 . . . . 25.0 110.487 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -63.5 -48.16 78.74 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.31 -46.55 88.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.457 0.646 . . . . 25.0 109.311 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.35 -32.08 72.81 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.789 -0.642 . . . . 25.0 111.576 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -81.79 -22.82 36.93 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 122.965 0.506 . . . . 25.0 110.9 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.4 m -90.56 -51.59 5.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.88 -0.6 . . . . 25.0 111.896 -176.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -93.8 -42.93 8.85 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.438 0.532 . . . . 25.0 112.438 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.427 HD13 HD22 ' B' ' 4' ' ' LEU . 9.2 tp -86.58 10.18 16.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.649 0.738 . . . . 25.0 109.899 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -38.13 21.08 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 115.303 1.594 . . . . 25.0 115.303 174.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.18 -34.17 61.48 Favored Glycine 0 C--O 1.227 -0.305 0 C-N-CA 120.479 -0.867 . . . . 25.0 111.389 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -71.84 -30.45 65.49 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.695 -0.886 . . . . 25.0 109.086 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -70.43 -41.03 73.44 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 120.67 0.272 . . . . 25.0 110.594 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -66.51 -35.37 80.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.656 0.741 . . . . 25.0 110.781 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.65 42.22 1.27 Allowed 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.713 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -71.91 156.02 39.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.128 -0.942 . . . . 25.0 108.718 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -127.88 -53.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.406 0.622 . . . . 25.0 109.624 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.42 84.21 7.73 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.552 0.691 . . . . 25.0 109.48 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.7 m -61.63 -25.96 38.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.277 -0.874 . . . . 25.0 111.77 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -69.47 -39.71 77.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.219 0.533 . . . . 25.0 110.771 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.01 -37.81 25.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 p -64.71 -38.33 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 -176.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -79.24 -27.72 42.41 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.556 -0.747 . . . . 25.0 110.659 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -60.29 -38.41 83.53 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.507 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.52 -43.13 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.89 0.852 . . . . 25.0 108.759 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.2 mmt -68.2 -49.55 60.06 Favored 'General case' 0 CA--C 1.49 -1.328 0 CA-C-N 115.599 -0.728 . . . . 25.0 112.49 -175.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -35.7 81.39 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.981 -0.288 . . . . 25.0 110.374 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -60.39 -48.12 83.13 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.133 -0.691 . . . . 25.0 109.133 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -79.03 -21.49 46.82 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 119.237 -0.985 . . . . 25.0 110.905 -174.001 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.59 -27.48 67.76 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.951 0.405 . . . . 25.0 111.433 -177.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -107.1 -22.97 12.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.332 0.587 . . . . 25.0 111.588 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -96.64 16.25 19.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.865 0.84 . . . . 25.0 109.877 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.43 -18.3 63.12 Favored Glycine 0 C--O 1.216 -1.02 0 N-CA-C 115.701 1.04 . . . . 25.0 115.701 -170.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.96 5.43 50.12 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.759 0.79 . . . . 25.0 110.956 -169.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.35 -157.14 33.37 Favored Glycine 0 N--CA 1.42 -2.408 0 N-CA-C 104.88 -3.288 . . . . 25.0 104.88 173.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.0 pt-20 -148.41 164.29 34.57 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.49 165.48 24.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -115.39 -174.12 2.45 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.627 -1.62 . . . . 25.0 106.627 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.53 -47.54 66.63 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.053 0.76 . . . . 25.0 113.053 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.7 tt0 -54.75 -47.07 74.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 118.311 0.505 . . . . 25.0 110.906 -177.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.69 -41.65 62.35 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.896 0.855 . . . . 25.0 109.267 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.44 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -56.1 -40.61 73.96 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.318 -0.855 . . . . 25.0 109.914 178.677 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 77.1 t -72.15 -37.21 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 122.239 -0.288 . . . . 25.0 111.069 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 72' ' ' GLN . 62.5 t -57.82 -46.78 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 121.477 0.656 . . . . 25.0 109.262 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.68 -37.12 76.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.949 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.9 t -63.44 -43.79 98.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 175.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.38 85.82 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.065 -0.397 . . . . 25.0 110.665 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.16 98.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.33 0.586 . . . . 25.0 110.35 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 tt -68.56 -37.26 79.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 25.0 109.901 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.241 -0.436 . . . . 25.0 111.414 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.453 HG11 ' HB2' ' B' ' 72' ' ' GLN . 29.1 m -69.32 -26.8 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 119.167 0.894 . . . . 25.0 112.045 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.277 0 CA-C-O 121.789 0.804 . . . . 25.0 111.437 174.784 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 107.95 -1.13 . . . . 25.0 107.95 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.44 -43.69 96.58 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.354 0.597 . . . . 25.0 110.794 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.427 HD22 HD13 ' A' ' 41' ' ' LEU . 3.6 tt -65.68 -42.24 91.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.827 0.822 . . . . 25.0 109.607 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.58 -34.8 77.77 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.348 -0.845 . . . . 25.0 111.712 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.8 p -71.3 -28.24 63.97 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.186 -0.606 . . . . 25.0 109.841 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.79 83.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 175.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -71.12 -32.98 69.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -69.62 -26.24 64.33 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 109.381 -0.6 . . . . 25.0 109.381 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 58.5 m -65.64 -43.58 89.01 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 122.02 -0.425 . . . . 25.0 110.298 171.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.3 -36.06 77.01 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.141 -0.688 . . . . 25.0 109.141 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.52 -46.11 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -58.71 -50.77 72.67 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.149 0.5 . . . . 25.0 110.716 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.415 HG11 HD12 ' A' ' 4' ' ' LEU . 90.7 t -62.64 -43.01 98.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.427 -0.806 . . . . 25.0 111.455 -178.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.405 ' HB2' ' CE2' ' B' ' 74' ' ' TYR . 83.7 t80 -62.07 -48.86 78.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.827 -0.545 . . . . 25.0 110.627 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -63.45 -28.06 69.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 25.0 111.86 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.51 97.41 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.928 0.344 . . . . 25.0 111.928 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -92.38 -16.85 25.43 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.784 0.326 . . . . 25.0 111.269 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.2 m -63.56 150.77 43.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.241 0.543 . . . . 25.0 110.725 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.587 0 C-N-CA 120.95 -0.643 . . . . 25.0 113.994 -178.621 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm . . . . . 0 CA--C 1.511 -0.549 0 N-CA-C 108.104 -1.073 . . . . 25.0 108.104 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.71 130.33 34.04 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.411 ' HB2' ' HD3' ' B' ' 31' ' ' LYS . 0.4 OUTLIER -65.53 150.42 48.41 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.04 -0.355 . . . . 25.0 110.04 -178.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -66.9 -39.35 87.4 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 113.461 0.911 . . . . 25.0 113.461 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.411 ' HD3' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -65.13 -29.68 70.55 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.714 1.143 . . . . 25.0 109.677 178.873 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.91 -24.26 38.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.701 -0.681 . . . . 25.0 110.322 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.452 HD11 ' HD1' ' B' ' 74' ' ' TYR . 14.5 tp -65.51 -34.43 78.25 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.753 -0.592 . . . . 25.0 109.635 175.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -61.85 -32.55 72.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.291 -0.413 . . . . 25.0 110.593 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -65.48 -48.05 73.95 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.53 -46.24 87.21 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 mt -62.45 -31.86 72.64 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.641 -0.708 . . . . 25.0 112.149 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.89 -22.61 36.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.944 0.402 . . . . 25.0 111.165 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.5 m -91.12 -57.26 2.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.205 -175.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -84.21 -44.51 13.85 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.276 0.56 . . . . 25.0 111.568 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tp -88.69 11.9 16.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.989 -0.551 . . . . 25.0 111.984 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -35.58 9.1 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 174.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.76 -32.61 63.87 Favored Glycine 0 C--O 1.226 -0.386 0 C-N-CA 120.625 -0.797 . . . . 25.0 111.834 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -72.47 -28.72 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.664 -0.904 . . . . 25.0 108.745 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.08 -40.61 71.47 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -66.89 -30.73 70.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.717 0.77 . . . . 25.0 110.287 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.29 19.49 15.34 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.788 -0.642 . . . . 25.0 110.87 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -59.61 149.84 29.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.557 0.694 . . . . 25.0 110.444 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -132.51 -43.55 0.92 Allowed 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -83.76 89.11 7.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.475 0.655 . . . . 25.0 109.436 175.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -67.23 -23.43 30.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.757 -0.656 . . . . 25.0 111.168 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.3 -40.88 42.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.917 0.389 . . . . 25.0 110.053 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.15 -37.53 38.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.63 -38.3 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -80.17 -28.36 38.8 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.562 -0.745 . . . . 25.0 110.169 -176.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -59.58 -38.73 81.98 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 122.186 -0.321 . . . . 25.0 111.706 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.3 -42.78 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.802 0.81 . . . . 25.0 109.141 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.9 mmt -68.18 -46.6 70.22 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.592 -0.731 . . . . 25.0 111.75 -176.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -37.82 84.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.294 -0.412 . . . . 25.0 110.648 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -61.28 -46.08 91.83 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 109.097 -0.705 . . . . 25.0 109.097 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.412 HD12 ' C ' ' B' ' 61' ' ' LEU . 0.6 OUTLIER -76.51 -26.18 54.98 Favored 'General case' 0 C--O 1.201 -1.483 0 C-N-CA 118.614 -1.234 . . . . 25.0 108.9 -171.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.05 -20.86 66.31 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -100.66 -14.03 18.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.526 0.679 . . . . 25.0 110.513 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -112.67 15.15 20.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.454 -0.794 . . . . 25.0 110.417 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.83 -22.33 62.04 Favored Glycine 0 C--O 1.222 -0.612 0 N-CA-C 116.276 1.27 . . . . 25.0 116.276 -166.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -94.7 6.31 49.28 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 121.755 0.788 . . . . 25.0 111.18 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.17 -163.56 38.0 Favored Glycine 0 N--CA 1.409 -3.166 1 N-CA-C 102.237 -4.345 . . . . 25.0 102.237 170.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -149.39 162.32 40.33 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 114.91 -0.645 . . . . 25.0 109.315 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.93 167.44 26.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.074 -0.967 . . . . 25.0 108.938 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -117.95 -174.22 2.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.738 -1.949 . . . . 25.0 105.738 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -52.38 -48.28 65.71 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.453 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.7 tt0 -53.4 -49.15 67.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.968 0.349 . . . . 25.0 110.979 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -73.46 -41.96 62.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.512 0.673 . . . . 25.0 110.033 -173.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.452 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -56.72 -39.95 74.8 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.304 179.438 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.7 t -71.33 -37.64 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 122.392 -0.192 . . . . 25.0 110.773 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.5 -44.67 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.365 0.602 . . . . 25.0 109.888 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.63 -36.3 73.37 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.284 0.564 . . . . 25.0 110.549 -177.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.93 -43.81 99.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.009 -0.737 . . . . 25.0 109.009 174.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.46 83.61 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.963 -0.46 . . . . 25.0 111.36 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.68 98.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.29 0.566 . . . . 25.0 110.294 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -35.1 73.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.347 0.594 . . . . 25.0 109.723 177.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.1 m -60.42 -45.22 94.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.264 -0.425 . . . . 25.0 110.772 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.468 HG11 ' HB2' ' A' ' 72' ' ' GLN . 30.2 m -72.78 -26.14 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 120.943 -1.098 . . . . 25.0 112.015 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 122.095 0.95 . . . . 25.0 109.614 174.126 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.239 0.532 0 N-CA-C 110.548 -0.167 . . . . 25.0 110.548 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -61.37 -44.46 97.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.953 0.406 . . . . 25.0 111.001 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.406 HD22 HD13 ' B' ' 41' ' ' LEU . 1.9 tt -66.96 -41.27 87.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.884 0.849 . . . . 25.0 110.379 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -63.91 -36.8 85.12 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.571 -0.706 . . . . 25.0 111.373 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.2 p -74.61 -29.83 61.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.614 -0.435 . . . . 25.0 110.45 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.92 95.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.4 mmm -72.82 -32.12 65.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.018 0.747 . . . . 25.0 113.018 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -68.21 -29.2 67.99 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.691 -0.855 . . . . 25.0 108.691 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.2 m -62.59 -44.41 96.39 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.923 0.392 . . . . 25.0 110.69 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.24 -36.22 79.4 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.916 -0.49 . . . . 25.0 110.254 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.5 mt -65.47 -46.06 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 109.133 -0.692 . . . . 25.0 109.133 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -58.31 -45.77 87.41 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.271 0.557 . . . . 25.0 111.528 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.525 HG11 HD12 ' B' ' 4' ' ' LEU . 86.1 t -65.69 -41.76 91.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.816 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -61.51 -43.97 97.91 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.783 -0.573 . . . . 25.0 109.904 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -69.46 -19.16 63.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.62 65.75 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 111.932 0.345 . . . . 25.0 111.932 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -116.43 -12.51 11.04 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.8 p . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 121.449 0.642 . . . . 25.0 112.167 -175.78 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 120.662 0.268 . . . . 25.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -125.02 149.15 48.05 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.148 0.499 . . . . 25.0 110.167 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.7 tp -140.89 135.67 31.54 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 107.176 -1.416 . . . . 25.0 107.176 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.445 ' HB2' ' HD3' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -66.34 152.7 44.45 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.977 -0.289 . . . . 25.0 110.943 178.262 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -64.34 -43.08 95.74 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.193 0.812 . . . . 25.0 113.193 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HD3' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -64.74 -31.65 72.97 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.105 0.866 . . . . 25.0 110.079 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -76.68 -27.4 55.55 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.541 -0.754 . . . . 25.0 109.769 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.444 HD22 HG21 ' A' ' 69' ' ' VAL . 14.2 tp -67.38 -32.95 74.21 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.82 -0.55 . . . . 25.0 110.375 176.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.584 ' HB2' HD11 ' A' ' 61' ' ' LEU . 32.1 ttpt -58.54 -33.91 70.41 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 120.656 -0.418 . . . . 25.0 110.561 177.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.03 -48.43 76.36 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt -59.44 -46.16 89.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.047 -0.723 . . . . 25.0 109.047 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.98 -31.89 73.11 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 121.175 0.512 . . . . 25.0 111.736 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -81.98 -22.18 36.72 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 122.038 -0.414 . . . . 25.0 111.372 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.7 m -97.11 -59.54 1.77 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.826 -0.625 . . . . 25.0 112.313 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -84.57 -28.96 26.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.538 0.57 . . . . 25.0 112.538 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.415 HD13 HD22 ' B' ' 4' ' ' LEU . 13.8 tp -98.55 7.23 46.41 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 177.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -42.88 -41.67 3.39 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 116.173 1.916 . . . . 25.0 116.173 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.58 -30.19 76.02 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 119.915 -1.136 . . . . 25.0 112.786 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -76.83 -23.48 52.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.604 -0.939 . . . . 25.0 109.955 176.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.04 -35.48 49.65 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -67.12 -30.79 70.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.724 0.773 . . . . 25.0 109.78 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.97 21.42 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.551 -0.75 . . . . 25.0 111.282 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -60.31 151.54 27.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.964 0.411 . . . . 25.0 110.606 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -132.45 -53.95 0.95 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.116 0.484 . . . . 25.0 110.598 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -80.04 84.05 5.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.431 ' HA ' HG12 ' A' ' 54' ' ' VAL . 30.2 m -63.52 -29.95 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.29 -0.414 . . . . 25.0 111.766 -175.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.56 -36.83 83.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.257 0.551 . . . . 25.0 109.651 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.21 -37.63 25.75 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 51' ' ' VAL . 5.8 p -68.44 -39.9 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 -175.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -80.09 -26.47 39.54 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.14 0.495 . . . . 25.0 110.174 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -55.09 -47.26 75.17 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.381 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.14 -39.92 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.66 -50.76 56.22 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 115.839 -0.619 . . . . 25.0 111.97 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -37.29 85.27 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.627 -0.429 . . . . 25.0 110.706 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.61 -40.93 98.51 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.237 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.69 -24.03 45.29 Favored 'General case' 0 C--O 1.205 -1.254 0 C-N-CA 119.21 -0.996 . . . . 25.0 110.552 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.43 -26.12 68.33 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.111 -0.368 . . . . 25.0 111.625 -177.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -100.04 -24.87 14.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.53 0.681 . . . . 25.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -96.92 15.8 21.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.817 -0.628 . . . . 25.0 110.016 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.04 -20.88 69.3 Favored Glycine 0 C--O 1.218 -0.872 0 N-CA-C 115.915 1.126 . . . . 25.0 115.915 -167.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.0 7.68 36.35 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 122.037 0.922 . . . . 25.0 110.428 -172.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.75 -159.26 35.27 Favored Glycine 0 N--CA 1.417 -2.584 0 N-CA-C 104.215 -3.554 . . . . 25.0 104.215 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -151.54 166.38 31.35 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 122.132 -0.628 . . . . 25.0 110.509 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.444 HG21 HD22 ' A' ' 33' ' ' LEU . 3.2 m -138.34 171.48 15.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.963 -1.017 . . . . 25.0 110.355 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -126.2 -174.08 3.02 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.934 -2.247 . . . . 25.0 104.934 174.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -52.86 -47.7 67.6 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.446 0.906 . . . . 25.0 113.446 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.537 ' HB2' HG11 ' B' ' 83' ' ' VAL . 62.3 tt0 -54.56 -47.86 72.74 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.497 0.589 . . . . 25.0 110.917 -177.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -71.41 -41.08 70.0 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.785 0.802 . . . . 25.0 109.445 -173.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -39.88 86.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.265 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.6 t -71.39 -36.73 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 122.275 -0.266 . . . . 25.0 110.527 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.9 t -59.38 -43.98 91.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -70.06 -37.24 75.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.887 0.375 . . . . 25.0 111.236 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.9 t -62.7 -42.88 97.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.12 81.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.051 -0.406 . . . . 25.0 110.706 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.5 94.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.454 0.645 . . . . 25.0 110.099 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.18 -35.92 71.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.382 0.61 . . . . 25.0 109.968 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.4 m -60.85 -46.98 88.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.975 -0.453 . . . . 25.0 109.923 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.495 HG11 ' HB2' ' B' ' 72' ' ' GLN . 35.2 m -67.07 -19.03 25.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 114.011 1.115 . . . . 25.0 114.011 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.94 0 CA-C-O 122.026 0.917 . . . . 25.0 111.801 168.632 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 C--O 1.242 0.687 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.02 -29.87 70.81 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 120.423 -0.511 . . . . 25.0 109.763 175.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.525 HD12 HG11 ' A' ' 14' ' ' VAL . 1.5 tt -67.45 -43.76 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.615 0.722 . . . . 25.0 109.899 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.19 -41.06 97.26 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.451 -0.781 . . . . 25.0 110.314 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 35.4 p -72.71 -28.86 62.92 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.614 -0.434 . . . . 25.0 110.32 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.57 89.44 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 174.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.5 mmm -71.83 -30.22 65.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.3 -29.05 66.82 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.801 -0.814 . . . . 25.0 108.801 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -64.47 -42.72 95.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.343 -0.389 . . . . 25.0 110.196 173.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.77 -34.52 74.6 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -67.67 -44.74 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -60.34 -49.03 79.21 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.262 0.553 . . . . 25.0 110.442 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 74.4 t -63.13 -43.32 98.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.42 -0.809 . . . . 25.0 111.205 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.52 -42.86 88.65 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 121.739 -0.6 . . . . 25.0 109.415 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -70.66 -14.16 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.04 77.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.77 -0.372 . . . . 25.0 110.478 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -107.26 -16.17 14.47 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.8 p -59.42 154.23 17.45 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.678 0.622 . . . . 25.0 112.678 -176.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.272 0 N-CA-C 114.978 0.751 . . . . 25.0 114.978 176.617 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 121.059 0.457 . . . . 25.0 111.89 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.7 tp -146.81 132.11 18.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -63.51 147.15 52.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.084 0.402 . . . . 25.0 110.322 177.711 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -62.11 -43.33 99.06 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.715 1.005 . . . . 25.0 113.715 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -29.41 70.42 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.643 0.656 . . . . 25.0 110.242 -178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.01 -24.94 47.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.418 -0.81 . . . . 25.0 109.96 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.521 HD11 ' HD1' ' B' ' 74' ' ' TYR . 35.1 tp -71.05 -26.15 62.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.738 -0.601 . . . . 25.0 110.595 175.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.493 ' HB2' HD11 ' B' ' 61' ' ' LEU . 34.9 ttpt -63.18 -33.54 75.71 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 119.839 -0.744 . . . . 25.0 109.633 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.64 -45.13 95.25 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.77 -43.88 95.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.909 -0.587 . . . . 25.0 110.157 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mp -65.19 -27.38 68.66 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.68 0.752 . . . . 25.0 111.555 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -81.89 -21.49 37.4 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 123.551 0.74 . . . . 25.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 32.8 m -105.77 -60.72 1.6 Allowed 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.43 -20.7 31.39 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.909 0.861 . . . . 25.0 112.327 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.406 HD13 HD22 ' A' ' 4' ' ' LEU . 11.9 tp -110.06 10.26 24.08 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.671 -1.15 . . . . 25.0 109.682 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.69 -37.06 58.32 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.149 1.537 . . . . 25.0 115.149 177.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.69 -30.36 70.73 Favored Glycine 0 C--O 1.221 -0.673 0 O-C-N 121.461 -0.774 . . . . 25.0 111.424 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -79.18 -27.94 42.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.805 -0.821 . . . . 25.0 108.891 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 20.9 tp -68.53 -41.35 80.03 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 121.305 0.574 . . . . 25.0 109.467 177.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.61 -30.86 70.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.691 0.757 . . . . 25.0 110.914 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.12 30.49 2.44 Favored 'General case' 0 C--O 1.246 0.87 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.94 151.35 47.25 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.813 -1.18 . . . . 25.0 107.813 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -133.11 -52.18 0.9 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.158 -1.423 . . . . 25.0 107.158 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -82.02 91.94 6.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.749 -1.114 . . . . 25.0 109.789 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.2 m -66.43 -24.15 32.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.898 -0.592 . . . . 25.0 111.637 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -76.71 -40.65 48.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.106 0.479 . . . . 25.0 110.221 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.84 -38.61 37.53 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.36 -37.56 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.35 -27.32 38.32 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.79 -0.641 . . . . 25.0 110.662 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -58.8 -37.19 75.79 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 121.033 -0.267 . . . . 25.0 111.246 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.04 -43.73 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.89 0.853 . . . . 25.0 109.441 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.7 mmt -70.63 -45.87 64.4 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.844 -175.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -34.95 79.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.491 -0.189 . . . . 25.0 110.491 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -59.89 -48.36 82.01 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -80.35 -18.48 48.95 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 119.232 -0.987 . . . . 25.0 111.297 -174.332 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.43 -29.99 68.16 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.998 0.428 . . . . 25.0 111.271 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -107.03 -22.65 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.362 0.601 . . . . 25.0 111.788 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -97.28 9.98 40.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.789 0.804 . . . . 25.0 110.968 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.37 -21.73 60.28 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 116.877 1.511 . . . . 25.0 116.877 -169.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -91.32 2.61 56.26 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.637 0.732 . . . . 25.0 110.847 -170.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.59 -159.84 35.48 Favored Glycine 0 N--CA 1.421 -2.348 0 N-CA-C 104.591 -3.404 . . . . 25.0 104.591 173.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 12.5 pt-20 -150.08 158.15 43.86 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 -176.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -135.93 167.96 23.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.495 -0.775 . . . . 25.0 109.609 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -117.97 -174.09 2.57 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.062 -1.459 . . . . 25.0 107.062 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -52.3 -48.04 65.57 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 113.585 0.957 . . . . 25.0 113.585 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.495 ' HB2' HG11 ' A' ' 83' ' ' VAL . 62.5 tt0 -55.82 -47.53 77.04 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.523 0.601 . . . . 25.0 110.892 -177.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -72.32 -38.42 68.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.028 0.918 . . . . 25.0 109.946 -173.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.521 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -60.73 -41.09 94.64 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.365 -0.834 . . . . 25.0 109.76 178.609 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 73.7 t -71.33 -35.44 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 122.359 -0.213 . . . . 25.0 110.584 -178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 72' ' ' GLN . 62.0 t -58.25 -45.82 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 109.376 -0.602 . . . . 25.0 109.376 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.4 mt -69.86 -36.48 75.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.087 0.47 . . . . 25.0 111.092 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 t -63.68 -44.75 98.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.876 -0.416 . . . . 25.0 109.876 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.7 88.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.142 -0.349 . . . . 25.0 110.165 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.91 98.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.333 0.587 . . . . 25.0 110.659 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.6 -33.45 72.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.467 0.651 . . . . 25.0 110.114 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 48.5 m -66.83 -43.41 83.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.191 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 72' ' ' GLN . 28.4 m -69.72 -23.88 26.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 O-C-N 121.006 -1.059 . . . . 25.0 111.58 176.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.805 0 O-C-N 121.632 -0.668 . . . . 25.0 110.798 171.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.232 0.15 0 N-CA-C 107.194 -1.41 . . . . 25.0 107.194 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.91 -38.1 81.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.316 0.579 . . . . 25.0 110.783 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.436 HD12 HG11 ' B' ' 14' ' ' VAL . 2.1 tt -64.54 -40.67 96.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.755 0.788 . . . . 25.0 110.599 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -66.36 -38.04 86.66 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.335 -0.853 . . . . 25.0 111.525 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 p -72.16 -30.21 64.77 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.697 -0.401 . . . . 25.0 109.952 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.47 96.69 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.5 mmm -71.45 -31.04 66.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -69.17 -28.35 66.34 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 119.971 -0.692 . . . . 25.0 109.981 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -61.35 -44.03 97.87 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 122.05 -0.406 . . . . 25.0 110.079 172.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.66 -36.17 82.95 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.562 -0.532 . . . . 25.0 109.562 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.41 -48.76 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -57.29 -51.9 67.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.458 0.17 . . . . 25.0 110.771 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.06 -34.09 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-N 115.915 -0.584 . . . . 25.0 112.438 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.52 -49.25 78.5 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.402 -0.811 . . . . 25.0 109.797 172.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -72.85 -14.13 61.43 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -176.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.21 -48.01 69.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.847 -0.427 . . . . 25.0 109.847 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -83.78 -20.33 33.49 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.541 -0.299 . . . . 25.0 111.198 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 CA--C 1.494 -1.191 0 CA-C-O 122.301 1.048 . . . . 25.0 109.03 178.428 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 107.103 -1.443 . . . . 25.0 107.103 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -125.87 154.88 42.08 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.11 136.15 51.72 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 104.585 -2.376 . . . . 25.0 104.585 172.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.66 151.98 45.25 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 119.469 -0.892 . . . . 25.0 109.494 176.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -63.3 -40.25 96.83 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 118.562 0.619 . . . . 25.0 112.594 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -29.32 69.84 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.631 1.105 . . . . 25.0 110.707 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -80.27 -25.1 39.64 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.798 -0.637 . . . . 25.0 110.169 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.421 HD11 ' HD1' ' A' ' 74' ' ' TYR . 18.6 tp -63.61 -35.06 79.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.173 0.511 . . . . 25.0 110.109 176.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB2' HD11 ' A' ' 61' ' ' LEU . 35.1 ttpt -58.91 -36.14 74.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.903 -0.589 . . . . 25.0 110.549 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.31 -46.62 82.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.06 -46.41 89.64 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -62.45 -32.04 72.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.368 0.604 . . . . 25.0 111.132 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -81.73 -19.62 41.03 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 122.862 0.465 . . . . 25.0 111.869 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.7 m -102.15 -52.3 3.18 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.895 0.702 . . . . 25.0 112.895 -176.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -97.26 -16.63 20.25 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 -172.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.43 HD13 HD22 ' B' ' 4' ' ' LEU . 14.8 tp -115.73 11.0 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.137 -1.061 . . . . 25.0 108.137 176.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.87 -38.41 22.39 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.666 1.728 . . . . 25.0 115.666 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.34 -29.53 68.2 Favored Glycine 0 C--O 1.226 -0.37 0 O-C-N 121.682 -0.636 . . . . 25.0 112.182 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -77.34 -29.4 53.44 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.27 -1.011 . . . . 25.0 108.27 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -40.33 77.27 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.33 -30.55 70.97 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.677 0.751 . . . . 25.0 111.049 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.45 24.77 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.382 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -62.86 151.62 38.59 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.424 0.631 . . . . 25.0 110.974 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -124.15 -48.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -86.99 87.07 7.37 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.103 -0.702 . . . . 25.0 109.103 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.4 ' HA ' HG12 ' A' ' 54' ' ' VAL . 35.7 m -63.54 -29.91 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.648 -0.706 . . . . 25.0 110.728 -177.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.13 -39.11 82.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.264 0.554 . . . . 25.0 109.982 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.96 -41.52 25.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.427 0.528 . . . . 25.0 112.427 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' A' ' 51' ' ' VAL . 8.7 p -64.79 -39.79 86.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.874 -0.788 . . . . 25.0 108.874 -176.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -80.33 -28.25 38.19 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.158 -0.473 . . . . 25.0 111.207 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -58.3 -40.55 82.28 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.557 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.83 -42.55 86.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.2 mmt -67.08 -49.28 65.57 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 116.229 -0.442 . . . . 25.0 112.103 -176.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -36.39 81.38 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.576 -0.449 . . . . 25.0 110.524 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.93 -40.97 97.68 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.456 -0.498 . . . . 25.0 110.248 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -77.3 -24.61 50.92 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 119.069 -1.052 . . . . 25.0 109.891 -179.22 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.18 -26.62 67.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.951 0.405 . . . . 25.0 111.92 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -104.07 -11.27 17.45 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.406 0.622 . . . . 25.0 110.973 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -111.83 15.55 20.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.717 -0.674 . . . . 25.0 110.128 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.56 -20.84 64.15 Favored Glycine 0 C--O 1.223 -0.586 0 N-CA-C 116.44 1.336 . . . . 25.0 116.44 -168.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -92.84 9.06 36.89 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.884 0.849 . . . . 25.0 110.783 -173.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.82 -165.75 34.42 Favored Glycine 0 N--CA 1.414 -2.767 1 N-CA-C 102.707 -4.157 . . . . 25.0 102.707 170.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -143.79 168.18 20.54 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 122.465 -0.432 . . . . 25.0 109.946 -175.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.41 162.2 33.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -113.43 -174.26 2.43 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.636 -1.616 . . . . 25.0 106.636 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -53.72 -46.8 70.93 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.495 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.4 tt0 -56.71 -47.68 79.39 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.633 0.651 . . . . 25.0 111.048 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.03 -43.36 74.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.353 1.073 . . . . 25.0 109.193 -173.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.421 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -58.8 -41.72 87.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.773 -1.103 . . . . 25.0 109.86 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 73.8 t -71.34 -36.66 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 122.189 -0.319 . . . . 25.0 111.087 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.1 t -56.75 -44.76 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 109.063 -0.717 . . . . 25.0 109.063 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.8 mt -72.89 -35.72 67.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.087 -0.506 . . . . 25.0 111.664 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.89 -43.68 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.152 -0.685 . . . . 25.0 109.152 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.98 84.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.118 -0.363 . . . . 25.0 110.634 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.47 -43.7 96.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.17 0.51 . . . . 25.0 110.449 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.63 -36.28 80.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.359 0.599 . . . . 25.0 109.561 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 79.2 m -61.43 -45.15 95.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.117 -0.492 . . . . 25.0 111.207 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.4 m -72.92 -28.27 26.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 O-C-N 120.861 -1.15 . . . . 25.0 111.575 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.342 0 CA-C-O 121.25 0.548 . . . . 25.0 110.907 175.587 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.232 0.173 0 N-CA-C 108.388 -0.967 . . . . 25.0 108.388 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.07 -33.87 76.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.354 0.597 . . . . 25.0 109.67 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.43 HD22 HD13 ' A' ' 41' ' ' LEU . 4.2 tt -63.66 -41.71 98.16 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.772 0.796 . . . . 25.0 110.561 176.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.44 -38.2 84.16 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.449 -0.782 . . . . 25.0 110.785 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 5.6 p -72.99 -25.78 61.11 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.629 -0.428 . . . . 25.0 110.595 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.84 96.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.0 mmm -70.6 -31.44 68.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.263 0.468 . . . . 25.0 112.263 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.27 -26.9 64.04 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.4 -0.813 . . . . 25.0 109.805 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 34.0 m -63.11 -43.88 97.22 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.11 -37.5 85.32 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.13 -47.3 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -58.74 -48.06 82.5 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 121.176 -0.21 . . . . 25.0 110.952 -177.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.436 HG11 HD12 ' A' ' 4' ' ' LEU . 79.0 t -62.28 -46.45 96.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.932 0.396 . . . . 25.0 110.475 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -61.95 -47.83 83.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.434 0.635 . . . . 25.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -65.93 -26.84 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 25.0 112.478 -175.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.54 94.41 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.812 0.339 . . . . 25.0 111.208 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -88.38 -20.92 24.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.728 -0.214 . . . . 25.0 111.358 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -62.1 157.89 17.98 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.24 1.2 . . . . 25.0 114.24 -175.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.349 0 CA-C-N 115.181 -0.918 . . . . 25.0 113.419 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp . . . . . 0 C--O 1.247 0.958 0 CA-C-O 122.27 1.033 . . . . 25.0 108.34 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.88 133.43 35.77 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 113.22 -1.809 . . . . 25.0 106.489 174.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.74 153.03 44.31 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.614 -0.679 . . . . 25.0 110.69 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -64.44 -41.54 96.49 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -32.07 73.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.948 1.249 . . . . 25.0 110.458 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -72.86 -29.39 63.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.318 -0.855 . . . . 25.0 109.717 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.476 HD22 HG21 ' B' ' 69' ' ' VAL . 14.9 tp -64.97 -30.49 71.48 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.858 -0.61 . . . . 25.0 111.559 178.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.535 ' HB2' HD11 ' B' ' 61' ' ' LEU . 34.1 ttpt -62.83 -37.11 85.49 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 120.436 -0.506 . . . . 25.0 110.038 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.58 -45.13 88.35 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.672 . . . . 25.0 109.184 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.86 -46.67 88.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.02 -0.536 . . . . 25.0 109.955 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 64.5 mt -64.39 -29.08 70.15 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.417 0.627 . . . . 25.0 111.815 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -81.81 -17.74 46.46 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 123.472 0.709 . . . . 25.0 110.981 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -102.4 -59.19 1.74 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.737 -0.665 . . . . 25.0 112.363 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -86.03 -20.49 28.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.904 0.705 . . . . 25.0 112.904 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.451 ' HG ' ' HB2' ' B' ' 44' ' ' PHE . 8.5 tp -113.4 14.36 19.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.826 0.822 . . . . 25.0 109.211 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -49.93 -40.28 42.91 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 116.362 1.986 . . . . 25.0 116.362 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.42 -31.19 61.32 Favored Glycine 0 C--O 1.228 -0.244 0 O-C-N 121.155 -0.966 . . . . 25.0 111.247 -178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.451 ' HB2' ' HG ' ' B' ' 41' ' ' LEU . 4.7 m-30 -70.1 -25.95 63.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.884 -0.774 . . . . 25.0 109.072 175.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.66 -39.75 36.02 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 122.558 0.343 . . . . 25.0 110.534 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.19 -32.2 73.76 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.944 0.878 . . . . 25.0 110.881 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.92 19.85 12.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.767 -0.651 . . . . 25.0 111.216 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -58.79 153.51 16.78 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 120.948 0.404 . . . . 25.0 111.584 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -130.13 -50.83 1.11 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -81.61 88.47 6.22 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.35 -27.99 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.999 0.428 . . . . 25.0 110.913 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.09 -40.03 71.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.393 0.616 . . . . 25.0 109.931 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.75 -37.28 49.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.244 -0.435 . . . . 25.0 111.735 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 p -65.96 -38.41 82.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.536 -0.913 . . . . 25.0 108.536 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -80.46 -27.38 37.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.009 -0.541 . . . . 25.0 111.073 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -35.29 68.72 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 175.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -76.8 -43.83 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.275 0.56 . . . . 25.0 110.041 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.8 mmt -68.63 -50.81 48.46 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.27 -35.68 81.62 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.59 -0.444 . . . . 25.0 110.356 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -62.44 -43.5 98.67 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.583 -0.447 . . . . 25.0 110.469 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -76.9 -23.17 52.56 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 119.51 -0.876 . . . . 25.0 109.648 -178.15 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -63.93 -25.46 68.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.979 0.419 . . . . 25.0 110.966 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -101.66 -20.37 15.04 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.477 0.656 . . . . 25.0 110.826 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -103.73 14.34 31.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.899 -0.592 . . . . 25.0 110.652 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.42 -22.31 63.33 Favored Glycine 0 C--O 1.224 -0.491 0 N-CA-C 115.984 1.154 . . . . 25.0 115.984 -169.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -89.32 4.53 48.55 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.768 0.794 . . . . 25.0 110.166 -174.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.64 -160.87 36.61 Favored Glycine 0 N--CA 1.42 -2.369 0 N-CA-C 104.553 -3.419 . . . . 25.0 104.553 171.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -147.8 171.14 16.17 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 122.303 -0.528 . . . . 25.0 109.779 -177.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.476 HG21 HD22 ' B' ' 33' ' ' LEU . 2.4 m -138.8 165.06 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 177.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.96 -174.13 2.7 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 104.349 -2.463 . . . . 25.0 104.349 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -52.99 -47.28 68.35 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.183 0.808 . . . . 25.0 113.183 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.423 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.7 tt0 -55.03 -48.78 72.94 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.103 0.411 . . . . 25.0 111.176 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -69.33 -43.62 73.35 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.96 0.886 . . . . 25.0 109.844 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -39.77 86.14 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.128 -0.942 . . . . 25.0 110.124 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.61 -37.29 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 122.132 -0.355 . . . . 25.0 110.746 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.43 -43.61 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 121.082 0.468 . . . . 25.0 109.758 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 38.1 mt -70.29 -36.96 74.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.013 0.435 . . . . 25.0 111.179 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.09 -43.49 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.77 82.19 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.954 -0.466 . . . . 25.0 111.151 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.52 98.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.623 0.725 . . . . 25.0 110.103 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -33.48 72.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.465 0.65 . . . . 25.0 109.827 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.1 m -64.32 -44.88 90.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.215 -0.448 . . . . 25.0 110.894 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.476 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.3 m -71.23 -23.74 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.216 -0.927 . . . . 25.0 112.509 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.798 0 CA-C-O 121.736 0.779 . . . . 25.0 111.282 172.366 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 C--O 1.237 0.414 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.79 -42.41 99.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.0 0.429 . . . . 25.0 110.6 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.436 HD22 HD13 ' B' ' 41' ' ' LEU . 3.4 tt -64.45 -41.84 96.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.839 0.828 . . . . 25.0 109.779 177.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.84 -36.4 82.24 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.345 -0.847 . . . . 25.0 112.014 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 p -71.76 -27.04 62.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.177 -0.609 . . . . 25.0 109.627 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.19 85.87 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 174.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.9 mmm -71.26 -32.23 68.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.224 0.824 . . . . 25.0 113.224 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -70.21 -25.3 63.34 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.0 m -66.51 -43.05 86.37 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 122.05 -0.406 . . . . 25.0 110.413 171.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.49 -35.72 76.61 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.62 -49.44 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -57.26 -50.18 73.7 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.208 0.527 . . . . 25.0 110.999 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.55 -0.75 . . . . 25.0 112.184 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.41 -48.54 80.74 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.737 -0.602 . . . . 25.0 110.546 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -71.75 -14.22 61.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.83 62.33 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 122.114 -0.366 . . . . 25.0 110.286 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -83.25 -19.32 36.6 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.4 ' HA ' HD13 ' A' ' 28' ' ' LEU . 61.7 m . . . . . 0 N--CA 1.469 0.479 0 O-C-N 123.415 0.447 . . . . 25.0 111.705 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 . . . . . 0 N--CA 1.462 0.146 0 N-CA-C 107.889 -1.152 . . . . 25.0 107.889 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -135.61 158.59 43.99 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.628 -0.714 . . . . 25.0 109.527 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 19' ' ' SER . 25.5 tp -147.71 137.19 22.51 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.098 0.249 . . . . 25.0 110.563 178.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.78 148.49 50.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.993 -0.442 . . . . 25.0 110.353 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -59.01 -43.08 91.48 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 114.282 1.215 . . . . 25.0 114.282 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -30.51 70.65 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.393 0.997 . . . . 25.0 110.282 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -77.78 -23.56 49.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.385 -0.825 . . . . 25.0 109.419 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.516 HD22 HG21 ' A' ' 69' ' ' VAL . 20.8 tp -70.95 -35.54 72.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.2 -0.454 . . . . 25.0 110.556 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.467 ' HB2' HD11 ' A' ' 61' ' ' LEU . 32.9 ttpt -58.21 -34.51 70.48 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 120.886 -0.326 . . . . 25.0 110.455 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -60.34 -49.03 79.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.41 -46.99 85.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.506 0.67 . . . . 25.0 109.301 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.84 -31.88 73.21 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.783 -0.644 . . . . 25.0 111.889 -178.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -81.81 -22.4 37.12 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 123.066 0.546 . . . . 25.0 110.929 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.2 m -89.75 -56.53 3.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.898 -0.592 . . . . 25.0 110.81 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -84.63 -42.05 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.096 0.406 . . . . 25.0 112.096 -176.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.84 13.13 21.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.163 0.506 . . . . 25.0 111.817 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.35 -35.21 5.2 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.915 1.45 . . . . 25.0 114.915 172.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.28 -35.11 57.09 Favored Glycine 0 C--O 1.228 -0.23 0 C-N-CA 120.588 -0.815 . . . . 25.0 112.268 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -71.33 -30.08 65.77 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.34 -42.27 75.54 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.275 -0.42 . . . . 25.0 110.199 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.46 -30.55 70.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.627 0.727 . . . . 25.0 111.128 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.05 28.67 6.54 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.799 -0.637 . . . . 25.0 111.071 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.52 152.67 37.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.118 0.485 . . . . 25.0 110.079 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -126.99 -50.5 1.45 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.91 88.59 5.3 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.09 -25.47 35.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.987 -0.551 . . . . 25.0 110.042 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.79 -40.76 69.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.12 -36.15 48.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.354 0.502 . . . . 25.0 112.354 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.16 -39.69 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 107.818 -1.179 . . . . 25.0 107.818 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -80.32 -28.81 38.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.521 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -33.86 65.64 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 177.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.0 t -82.74 -45.56 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.411 -0.516 . . . . 25.0 110.421 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.6 mmt -66.83 -50.24 63.21 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 112.94 0.718 . . . . 25.0 112.94 -174.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -36.64 84.78 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.849 -0.34 . . . . 25.0 110.3 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.49 -42.09 96.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.614 -0.266 . . . . 25.0 110.721 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.04 -25.78 48.0 Favored 'General case' 0 C--O 1.201 -1.481 0 C-N-CA 119.161 -1.016 . . . . 25.0 109.587 -176.89 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.02 -21.89 66.91 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.623 0.601 . . . . 25.0 112.623 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -96.57 -26.77 15.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.725 0.774 . . . . 25.0 109.8 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -98.85 15.13 26.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.343 -0.844 . . . . 25.0 110.908 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.29 -21.13 66.02 Favored Glycine 0 C--O 1.217 -0.945 0 N-CA-C 116.201 1.241 . . . . 25.0 116.201 -166.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -89.64 5.29 46.4 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.742 0.782 . . . . 25.0 110.714 -173.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.11 -156.26 30.33 Favored Glycine 0 N--CA 1.416 -2.636 0 N-CA-C 104.783 -3.327 . . . . 25.0 104.783 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.81 167.34 29.98 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 122.279 -0.542 . . . . 25.0 110.184 -173.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.516 HG21 HD22 ' A' ' 33' ' ' LEU . 3.6 m -140.74 170.4 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.885 -1.052 . . . . 25.0 109.532 -179.056 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -124.38 -174.15 2.94 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.512 -1.662 . . . . 25.0 106.512 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -52.13 -48.91 64.62 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.539 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.4 tt0 -54.95 -47.43 74.51 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.705 0.684 . . . . 25.0 110.778 -177.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -46.41 72.51 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 122.223 1.011 . . . . 25.0 108.855 -174.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -39.45 80.86 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.878 -1.055 . . . . 25.0 111.364 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.1 t -71.39 -36.98 63.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 121.182 -0.207 . . . . 25.0 110.679 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.442 HG22 HG22 ' B' ' 76' ' ' VAL . 53.3 t -61.5 -43.21 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.091 0.472 . . . . 25.0 109.84 177.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.1 mt -70.11 -36.25 74.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.102 0.477 . . . . 25.0 110.674 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.04 -44.18 99.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.0 82.47 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.024 -0.422 . . . . 25.0 111.553 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.2 99.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.348 0.594 . . . . 25.0 110.459 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -35.39 72.59 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.313 -0.555 . . . . 25.0 109.505 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.6 m -58.92 -45.44 90.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.156 -0.34 . . . . 25.0 110.902 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' B' ' 72' ' ' GLN . 30.0 m -73.84 -24.2 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 119.15 0.886 . . . . 25.0 113.068 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.408 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 174.193 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.9 p . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -60.21 -43.72 95.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.275 0.559 . . . . 25.0 110.669 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 tt -67.35 -41.82 84.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.522 0.677 . . . . 25.0 109.772 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.72 -34.36 77.67 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 121.263 -0.898 . . . . 25.0 111.149 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -71.55 -28.36 63.81 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.111 -0.636 . . . . 25.0 110.309 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.03 86.74 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 174.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.7 mmm -71.42 -33.51 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.364 0.876 . . . . 25.0 113.364 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.68 -28.45 66.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 59.5 m -64.08 -44.94 90.82 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 122.155 -0.34 . . . . 25.0 110.461 171.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.97 -36.78 77.87 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.43 -46.84 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.41 -45.81 87.69 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.371 0.605 . . . . 25.0 111.002 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.43 HG11 HD12 ' A' ' 4' ' ' LEU . 78.8 t -64.88 -44.89 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 116.081 -0.508 . . . . 25.0 111.138 -178.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.42 -47.47 85.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.594 0.711 . . . . 25.0 110.205 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -63.25 -27.05 69.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.424 -0.807 . . . . 25.0 111.668 -176.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.1 75.03 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -86.18 -16.91 36.32 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 111.779 0.289 . . . . 25.0 111.779 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.0 m -60.33 156.79 14.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.163 0.506 . . . . 25.0 111.178 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.577 0 C-N-CA 120.885 -0.674 . . . . 25.0 113.151 -178.438 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm . . . . . 0 C--O 1.24 0.554 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -145.66 133.54 21.27 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 116.257 -0.429 . . . . 25.0 109.945 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.51 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 5.3 m -69.89 148.85 48.5 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.744 -0.598 . . . . 25.0 111.2 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -59.48 -48.79 80.31 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.612 1.338 . . . . 25.0 114.612 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -32.56 66.15 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 118.489 0.586 . . . . 25.0 112.211 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -77.61 -24.54 49.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.369 0.604 . . . . 25.0 110.33 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 tp -67.6 -30.67 70.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.813 -0.554 . . . . 25.0 110.448 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.547 ' HB2' HD11 ' B' ' 61' ' ' LEU . 32.5 ttpt -61.85 -31.84 72.13 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 120.299 -0.56 . . . . 25.0 110.267 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -64.12 -47.43 79.99 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.098 -0.704 . . . . 25.0 109.098 177.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.09 -46.96 87.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.87 -31.84 72.96 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 115.59 -0.732 . . . . 25.0 111.743 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -81.67 -22.41 37.52 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.965 -0.459 . . . . 25.0 111.092 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 53.8 m -90.35 -52.4 4.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.877 -0.601 . . . . 25.0 111.892 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -92.36 -40.09 11.1 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.646 0.61 . . . . 25.0 112.646 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.436 HD13 HD22 ' A' ' 4' ' ' LEU . 8.7 tp -89.44 10.17 23.62 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.529 0.681 . . . . 25.0 109.738 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -39.44 30.47 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 115.458 1.651 . . . . 25.0 115.458 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.53 -30.67 61.84 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 120.557 -0.83 . . . . 25.0 111.282 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -73.63 -30.5 62.99 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.687 -0.89 . . . . 25.0 109.03 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.29 -38.99 82.21 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.68 -36.66 81.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.52 0.676 . . . . 25.0 111.3 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.09 39.94 1.55 Allowed 'General case' 0 C--O 1.247 0.941 0 CA-C-O 121.724 0.774 . . . . 25.0 109.708 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -71.75 162.02 30.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.917 -1.038 . . . . 25.0 108.3 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -131.09 -50.96 1.02 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.287 -0.635 . . . . 25.0 109.287 176.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -84.87 92.63 8.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.526 0.679 . . . . 25.0 109.873 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 29.0 m -66.0 -21.35 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.386 -0.825 . . . . 25.0 112.996 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -81.59 -47.57 12.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.91 70.66 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.247 0.462 . . . . 25.0 112.247 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.19 -38.76 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.29 -28.4 57.0 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.302 -0.863 . . . . 25.0 111.263 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -59.61 -38.64 81.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.019 -0.426 . . . . 25.0 111.585 177.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 50.0 t -68.56 -40.84 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 122.277 1.037 . . . . 25.0 108.717 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.4 mmt -72.02 -46.53 56.77 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 115.138 -0.937 . . . . 25.0 111.829 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -36.0 82.48 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.143 -0.317 . . . . 25.0 110.143 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -59.48 -48.78 80.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -79.21 -20.55 48.0 Favored 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 118.685 -1.206 . . . . 25.0 110.488 -174.186 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.91 -26.91 68.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.037 0.446 . . . . 25.0 110.894 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -103.0 -25.35 13.48 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.472 0.653 . . . . 25.0 110.747 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -94.82 21.77 7.15 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.84 22.9 4.61 Favored Glycine 0 C--O 1.213 -1.209 0 CA-C-N 115.562 -0.744 . . . . 25.0 112.327 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -115.96 -1.91 12.43 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 122.527 -0.396 . . . . 25.0 110.246 167.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.47 -155.99 32.29 Favored Glycine 0 N--CA 1.433 -1.527 0 N-CA-C 109.551 -1.42 . . . . 25.0 109.551 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.51 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 11.8 pt-20 -155.46 163.52 39.92 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 113.809 -1.196 . . . . 25.0 110.175 -169.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 m -141.93 168.25 15.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 122.097 0.951 . . . . 25.0 110.851 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -120.58 -174.2 2.75 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 105.157 -2.164 . . . . 25.0 105.157 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.96 -46.71 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.496 0.924 . . . . 25.0 113.496 177.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.494 ' O ' HG23 ' B' ' 76' ' ' VAL . 65.2 tt0 -54.95 -46.85 75.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.975 0.352 . . . . 25.0 111.343 -177.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.54 -39.74 70.5 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.107 0.956 . . . . 25.0 108.98 -173.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -38.81 86.78 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.237 -0.892 . . . . 25.0 109.829 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 72.6 t -71.97 -36.22 56.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 121.173 -0.211 . . . . 25.0 110.561 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 72' ' ' GLN . 75.3 t -57.73 -46.66 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 176.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 mt -69.29 -38.41 78.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 25.0 111.255 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.7 -43.86 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.49 -36.47 81.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.957 -0.464 . . . . 25.0 110.743 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.14 -41.23 97.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.278 0.561 . . . . 25.0 110.2 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 tt -68.58 -35.77 77.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.448 0.642 . . . . 25.0 109.488 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -64.46 -40.2 95.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.378 -0.373 . . . . 25.0 111.834 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.539 HG11 ' HB2' ' A' ' 72' ' ' GLN . 20.8 m -71.28 -23.84 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 120.783 -1.198 . . . . 25.0 112.343 177.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.607 0 CA-C-O 121.412 0.625 . . . . 25.0 111.131 171.409 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.234 0.271 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.48 -39.52 84.0 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.339 0.59 . . . . 25.0 110.259 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.692 HD11 HD13 ' B' ' 11' ' ' LEU . 13.4 tp -68.15 -32.99 73.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.925 0.869 . . . . 25.0 112.277 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -74.23 -34.95 63.82 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.009 -0.541 . . . . 25.0 110.346 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.9 p -72.8 -26.11 61.4 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.99 86.14 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 173.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.4 mmm -70.09 -33.05 71.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.173 0.805 . . . . 25.0 113.173 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -70.58 -25.4 63.05 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 120.026 -0.67 . . . . 25.0 109.563 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.4 m -65.13 -42.56 93.75 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.118 -0.364 . . . . 25.0 110.552 172.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.2 -35.87 76.38 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.898 -0.779 . . . . 25.0 108.898 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.58 -45.68 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -59.57 -48.82 80.15 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 122.126 -0.359 . . . . 25.0 110.747 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.76 -43.36 98.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.52 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -62.43 -49.13 76.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.128 0.489 . . . . 25.0 109.979 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -61.08 -30.47 70.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.855 -0.611 . . . . 25.0 112.176 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.08 75.4 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 111.738 0.273 . . . . 25.0 111.738 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -83.92 -19.32 34.91 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 111.697 0.258 . . . . 25.0 111.697 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--N 1.327 -0.404 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -178.668 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 N--CA 1.464 0.269 0 N-CA-C 108.763 -0.829 . . . . 25.0 108.763 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -131.98 151.6 51.63 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.104 0.478 . . . . 25.0 111.899 -176.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -138.79 134.79 33.9 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 109.095 -0.705 . . . . 25.0 109.095 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -65.07 147.69 53.02 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 111.908 0.336 . . . . 25.0 111.908 179.11 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -63.13 -47.14 84.04 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.061 0.763 . . . . 25.0 113.061 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -58.75 -29.02 66.43 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.407 0.549 . . . . 25.0 111.908 176.552 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -83.01 -23.76 33.15 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 121.554 0.693 . . . . 25.0 110.876 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD11 ' HD1' ' A' ' 74' ' ' TYR . 17.7 tp -64.69 -32.8 74.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.129 0.49 . . . . 25.0 109.841 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HB2' HD11 ' A' ' 61' ' ' LEU . 25.8 tttp -55.18 -38.71 68.7 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.751 -0.659 . . . . 25.0 110.983 177.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.3 -48.51 75.4 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.273 -0.639 . . . . 25.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.11 -45.74 90.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.65 0.738 . . . . 25.0 109.411 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.79 -30.61 71.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.563 -0.744 . . . . 25.0 111.976 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -81.78 -22.68 37.03 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 122.841 0.456 . . . . 25.0 111.736 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -93.88 -52.67 4.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.99 -0.55 . . . . 25.0 112.123 -174.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -91.28 -42.67 10.26 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.366 0.603 . . . . 25.0 112.011 -176.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD13 HD22 ' B' ' 4' ' ' LEU . 9.9 tp -87.36 8.26 25.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.837 -0.619 . . . . 25.0 110.119 -178.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.04 -37.04 8.71 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 116.239 1.94 . . . . 25.0 116.239 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.99 -36.8 56.9 Favored Glycine 0 C--O 1.224 -0.507 0 C-N-CA 120.141 -1.028 . . . . 25.0 111.209 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -71.8 -29.74 64.78 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 176.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.7 tp -68.83 -42.95 76.47 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 121.418 0.627 . . . . 25.0 109.803 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.2 -32.71 73.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.524 -0.762 . . . . 25.0 111.716 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.71 22.49 4.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.307 -0.406 . . . . 25.0 110.436 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.33 152.45 29.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.088 0.47 . . . . 25.0 110.189 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -135.04 -50.36 0.76 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.15 86.78 4.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.81 -1.182 . . . . 25.0 107.81 172.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.8 m -64.79 -25.2 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.745 -0.661 . . . . 25.0 110.538 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.24 -38.62 82.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.187 0.518 . . . . 25.0 110.501 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.2 -39.03 23.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 -176.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -65.57 -38.13 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.612 0.72 . . . . 25.0 109.394 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -78.9 -26.33 43.79 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.516 -0.765 . . . . 25.0 109.629 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -60.97 -37.35 82.12 Favored 'General case' 0 C--O 1.215 -0.741 0 C-N-CA 120.84 -0.344 . . . . 25.0 111.442 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.73 -42.13 80.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 122.053 0.93 . . . . 25.0 108.842 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.7 mmt -70.49 -46.67 63.29 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.373 -0.83 . . . . 25.0 111.75 -176.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -35.37 80.62 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.428 -0.212 . . . . 25.0 110.428 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -60.24 -48.06 83.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -79.25 -20.18 48.81 Favored 'General case' 0 C--O 1.21 -0.982 0 C-N-CA 118.933 -1.107 . . . . 25.0 110.624 -174.796 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.04 -27.35 69.35 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.073 0.463 . . . . 25.0 110.747 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -103.56 -23.77 13.47 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.393 0.616 . . . . 25.0 110.955 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -96.65 19.83 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.009 -0.541 . . . . 25.0 110.309 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.33 20.77 3.88 Favored Glycine 0 C--O 1.218 -0.883 0 CA-C-O 121.841 0.689 . . . . 25.0 112.636 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -99.27 -29.89 12.55 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.62 -152.93 29.08 Favored Glycine 0 N--CA 1.438 -1.211 0 CA-C-O 123.295 1.497 . . . . 25.0 113.974 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -152.93 165.41 35.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 112.988 -1.606 . . . . 25.0 110.385 -171.727 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 m -134.95 173.12 14.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.278 -0.874 . . . . 25.0 110.492 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -121.41 -174.25 2.81 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 106.201 -1.777 . . . . 25.0 106.201 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -53.85 -49.08 69.25 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 177.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.1 tt0 -55.75 -45.05 78.11 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.102 0.41 . . . . 25.0 111.034 -176.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -44.26 71.48 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.123 0.963 . . . . 25.0 109.553 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.407 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -58.43 -38.81 78.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.028 -0.987 . . . . 25.0 110.27 -178.792 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' B' ' 79' ' ' ALA . 82.8 t -72.89 -36.16 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 122.223 -0.298 . . . . 25.0 110.921 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 72' ' ' GLN . 72.6 t -58.4 -46.32 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 176.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.81 -36.98 76.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.84 -0.618 . . . . 25.0 110.923 -177.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.0 t -63.08 -44.8 99.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 175.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.61 88.12 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.051 -0.405 . . . . 25.0 110.554 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.06 95.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.412 0.625 . . . . 25.0 110.463 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.47 -37.34 82.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.451 0.643 . . . . 25.0 109.586 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.2 m -62.46 -43.61 98.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.169 -0.469 . . . . 25.0 111.733 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.489 HG11 ' HB2' ' B' ' 72' ' ' GLN . 23.5 m -70.63 -23.97 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 120.706 -1.246 . . . . 25.0 112.183 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 121.235 0.541 . . . . 25.0 110.717 175.358 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 119.999 -0.048 . . . . 25.0 111.018 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.46 -46.01 91.85 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.414 0.626 . . . . 25.0 110.486 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.409 HD22 HD13 ' A' ' 41' ' ' LEU . 3.4 tt -65.98 -40.65 91.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.035 0.921 . . . . 25.0 109.723 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -68.16 -35.03 77.42 Favored 'General case' 0 C--N 1.315 -0.914 0 O-C-N 121.458 -0.776 . . . . 25.0 111.939 -176.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.5 p -73.84 -31.15 63.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 176.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.8 -48.02 82.75 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 172.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mmm -72.23 -29.74 64.24 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -72.82 -24.42 60.9 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.363 -0.835 . . . . 25.0 109.526 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -63.51 -44.46 94.26 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 170.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.692 HD13 HD11 ' A' ' 4' ' ' LEU . 3.9 mm? -62.2 -38.6 89.76 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.68 -48.31 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -58.15 -49.6 76.42 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.776 0.322 . . . . 25.0 110.583 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -67.41 -42.82 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-N 115.602 -0.726 . . . . 25.0 111.968 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.438 ' HB2' ' CE2' ' B' ' 74' ' ' TYR . 83.3 t80 -59.36 -51.23 70.79 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.586 -0.696 . . . . 25.0 110.38 178.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -71.34 -14.67 62.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.85 54.84 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 175.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -78.96 -24.67 43.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.662 -0.244 . . . . 25.0 111.449 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -59.97 158.35 11.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.334 0.588 . . . . 25.0 111.613 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.599 0 C-N-CA 120.817 -0.706 . . . . 25.0 114.212 -178.757 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp . . . . . 0 CA--C 1.51 -0.583 0 CA-C-O 120.99 0.424 . . . . 25.0 110.542 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.0 tp -132.43 129.71 39.64 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 173.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.29 146.42 54.4 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.0 -40.49 89.42 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -29.55 70.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.633 1.106 . . . . 25.0 109.928 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.56 -23.71 39.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.616 0.722 . . . . 25.0 110.217 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.539 HD11 ' HD1' ' B' ' 74' ' ' TYR . 19.2 tp -66.12 -35.31 80.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.214 0.531 . . . . 25.0 109.908 175.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.55 ' HB2' HD11 ' B' ' 61' ' ' LEU . 31.4 ttpt -61.26 -33.92 74.33 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 116.028 -0.533 . . . . 25.0 110.369 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -63.05 -48.5 78.43 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.86 -46.6 87.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.42 0.628 . . . . 25.0 109.386 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.32 -32.11 72.82 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.859 -0.609 . . . . 25.0 112.162 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -81.95 -22.34 36.73 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.498 0.719 . . . . 25.0 110.847 -178.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 55.7 m -91.9 -60.62 1.82 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.922 -0.581 . . . . 25.0 111.084 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -81.37 -42.63 20.19 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.054 0.454 . . . . 25.0 111.999 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.95 13.72 17.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.154 0.502 . . . . 25.0 111.957 -177.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.12 -35.56 11.71 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.709 1.374 . . . . 25.0 114.709 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.19 -33.17 59.49 Favored Glycine 0 C--O 1.227 -0.284 0 C-N-CA 120.532 -0.842 . . . . 25.0 112.106 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -71.01 -31.74 68.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.207 -1.035 . . . . 25.0 108.207 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -69.24 -41.48 76.93 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 110.075 -0.342 . . . . 25.0 110.075 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.06 -31.46 72.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.607 0.718 . . . . 25.0 111.284 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.17 27.64 7.03 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 115.924 -0.58 . . . . 25.0 110.914 -176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -63.91 152.65 39.26 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -124.51 -49.52 1.78 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 174.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -82.09 87.8 6.47 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.7 m -63.92 -24.01 34.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 115.666 -0.697 . . . . 25.0 110.801 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -76.2 -40.29 52.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.52 -0.309 . . . . 25.0 110.773 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.5 -35.93 53.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 p -63.34 -38.56 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 107.861 -1.163 . . . . 25.0 107.861 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -77.23 -29.59 54.16 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.275 -0.875 . . . . 25.0 111.261 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -26.43 68.24 Favored 'General case' 0 C--O 1.21 -1.014 0 C-N-CA 121.137 -0.225 . . . . 25.0 111.467 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 66.1 t -85.47 -45.42 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.573 0.701 . . . . 25.0 109.724 175.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 mmt -68.05 -53.4 25.93 Favored 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 -173.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -35.58 80.93 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.784 -0.45 . . . . 25.0 109.784 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -60.71 -46.16 91.47 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.555 -0.458 . . . . 25.0 109.926 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.55 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.74 -22.66 49.95 Favored 'General case' 0 C--O 1.207 -1.134 0 C-N-CA 119.029 -1.069 . . . . 25.0 110.857 -177.208 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.57 -26.79 67.2 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 111.81 0.3 . . . . 25.0 111.81 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -106.11 -21.47 13.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.546 0.688 . . . . 25.0 111.488 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -96.53 15.87 20.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.657 0.742 . . . . 25.0 109.564 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.75 -19.96 65.76 Favored Glycine 0 C--O 1.217 -0.919 0 N-CA-C 115.341 0.896 . . . . 25.0 115.341 -170.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.0 6.74 43.56 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.929 0.871 . . . . 25.0 110.748 -171.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.15 -156.61 32.9 Favored Glycine 0 N--CA 1.418 -2.545 0 N-CA-C 104.376 -3.489 . . . . 25.0 104.376 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -149.6 169.42 21.01 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 122.044 -0.68 . . . . 25.0 109.694 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.9 166.02 23.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.956 -1.02 . . . . 25.0 108.838 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -118.71 -174.09 2.62 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.632 -1.988 . . . . 25.0 105.632 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -53.98 -46.28 71.63 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.489 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.4 tt0 -55.48 -46.43 76.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 118.172 0.442 . . . . 25.0 111.69 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.29 -46.44 64.3 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.92 -1.141 . . . . 25.0 107.92 -174.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.539 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.7 OUTLIER -57.41 -40.55 78.53 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.459 -1.246 . . . . 25.0 111.38 -176.09 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.23 -37.57 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 122.39 -0.194 . . . . 25.0 110.722 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.445 HG22 HG22 ' A' ' 76' ' ' VAL . 54.7 t -60.49 -43.62 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.7 -37.3 76.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.886 0.374 . . . . 25.0 110.912 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -63.56 -42.28 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.427 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -68.83 -35.31 76.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.904 -0.497 . . . . 25.0 111.916 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.56 97.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.293 0.568 . . . . 25.0 109.607 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -36.4 77.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.358 0.599 . . . . 25.0 109.59 177.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 47.9 m -60.25 -44.86 94.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.184 -0.462 . . . . 25.0 110.818 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.441 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.8 m -74.41 -23.9 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 121.253 -0.904 . . . . 25.0 112.587 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.41 0 CA-C-O 121.866 0.841 . . . . 25.0 109.472 173.039 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.24 0.554 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -62.44 -39.66 94.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.135 0.493 . . . . 25.0 109.76 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.422 HD12 HG11 ' B' ' 14' ' ' VAL . 1.5 tt -65.16 -41.77 94.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.568 0.699 . . . . 25.0 111.022 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -63.98 -37.96 89.33 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.631 -0.668 . . . . 25.0 111.115 -176.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -77.64 -27.86 51.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.262 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.61 96.18 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.436 -0.949 . . . . 25.0 108.436 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -71.54 -31.8 67.42 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.21 -28.02 66.0 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -64.35 -43.05 95.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.82 0.343 . . . . 25.0 110.335 173.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.07 -33.64 73.64 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.49 -45.28 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -58.5 -46.61 86.34 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.489 0.661 . . . . 25.0 110.408 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.47 HG11 HD12 ' B' ' 4' ' ' LEU . 72.8 t -65.92 -42.67 92.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.24 -0.891 . . . . 25.0 111.592 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.24 -43.98 95.62 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.553 -0.717 . . . . 25.0 109.35 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -66.02 -17.55 64.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.48 -49.3 67.06 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.822 -0.549 . . . . 25.0 111.252 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -94.59 -11.78 28.75 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.403 ' HA ' HD13 ' A' ' 28' ' ' LEU . 96.1 p . . . . . 0 C--N 1.325 -0.485 0 CA-C-O 121.137 0.494 . . . . 25.0 111.021 -178.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 107.159 -1.423 . . . . 25.0 107.159 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -133.77 158.68 42.73 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.626 -1.17 . . . . 25.0 110.642 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 19' ' ' SER . 14.7 tp -153.81 136.05 14.87 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.494 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 4.3 m -67.31 149.92 49.7 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.853 -0.529 . . . . 25.0 111.381 179.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -58.96 -51.67 69.07 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.827 1.047 . . . . 25.0 113.827 -175.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -28.94 61.88 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.917 0.71 . . . . 25.0 112.917 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -79.37 -23.51 43.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.974 0.416 . . . . 25.0 110.631 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.0 tp -69.91 -25.63 63.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.863 -0.523 . . . . 25.0 110.734 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HB2' HD11 ' A' ' 61' ' ' LEU . 44.6 tttp -56.09 -40.78 74.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.112 0.482 . . . . 25.0 109.749 176.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.41 -46.51 82.93 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.865 -0.607 . . . . 25.0 110.04 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.62 -47.07 87.03 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.936 -0.764 . . . . 25.0 108.936 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.28 -30.57 71.22 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 116.072 -0.513 . . . . 25.0 111.611 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -82.18 -22.15 36.15 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 122.082 -0.386 . . . . 25.0 111.865 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.1 m -94.64 -50.58 5.11 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.767 -176.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -98.18 -19.4 17.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.404 HD13 HD22 ' B' ' 4' ' ' LEU . 12.0 tp -112.26 12.44 20.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.443 -0.947 . . . . 25.0 108.443 176.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.02 -44.01 9.68 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 116.898 2.184 . . . . 25.0 116.898 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.52 -30.9 59.48 Favored Glycine 0 C--O 1.225 -0.455 0 O-C-N 121.402 -0.811 . . . . 25.0 111.68 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -73.28 -23.63 60.33 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -78.56 -38.9 39.19 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 123.051 0.54 . . . . 25.0 110.275 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.45 -30.59 70.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.558 0.694 . . . . 25.0 111.176 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.98 21.91 7.14 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.972 -0.558 . . . . 25.0 110.928 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.89 152.57 27.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.319 . . . . 25.0 110.693 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -133.9 -54.58 0.87 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.508 -0.314 . . . . 25.0 110.197 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -78.19 90.79 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.725 -1.213 . . . . 25.0 107.725 171.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.76 -26.65 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.182 0.515 . . . . 25.0 110.462 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.47 -39.24 77.84 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.253 0.549 . . . . 25.0 109.656 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.62 -36.24 38.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.916 -175.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.59 -38.68 82.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 108.601 -0.889 . . . . 25.0 108.601 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -80.64 -24.84 38.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.031 -0.532 . . . . 25.0 110.883 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -31.45 65.22 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 109.57 -0.53 . . . . 25.0 109.57 174.147 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.2 t -82.06 -44.84 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.367 0.604 . . . . 25.0 110.19 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.5 mmt -68.54 -51.99 36.85 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 113.224 0.824 . . . . 25.0 113.224 -174.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -36.33 83.36 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.958 -0.386 . . . . 25.0 109.958 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -61.3 -43.69 98.45 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.628 -0.429 . . . . 25.0 110.701 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -77.97 -23.09 48.55 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 119.214 -0.994 . . . . 25.0 109.797 -177.326 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.94 -26.04 67.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.178 0.513 . . . . 25.0 110.421 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -97.93 -25.8 14.87 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.716 0.77 . . . . 25.0 110.122 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -95.26 19.23 10.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.572 -0.74 . . . . 25.0 109.336 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.44 25.2 1.37 Allowed Glycine 0 C--O 1.22 -0.754 0 CA-C-N 115.904 -0.589 . . . . 25.0 114.348 -176.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -115.86 -13.88 11.33 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.772 0.32 . . . . 25.0 110.542 172.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.92 -154.48 29.7 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-O 122.868 1.26 . . . . 25.0 111.735 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.494 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 11.3 pt-20 -152.9 165.01 36.8 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 113.815 -1.193 . . . . 25.0 110.447 -170.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 m -142.58 167.86 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 123.876 0.735 . . . . 25.0 110.758 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -120.98 -174.18 2.77 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 106.006 -1.85 . . . . 25.0 106.006 174.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -53.35 -48.12 68.81 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.504 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.6 tt0 -55.35 -45.92 76.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.168 0.44 . . . . 25.0 110.853 -177.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.42 -42.12 75.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.122 0.963 . . . . 25.0 109.965 -175.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.96 -39.52 89.86 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.223 -0.898 . . . . 25.0 110.031 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 81.0 t -71.29 -35.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 122.284 -0.26 . . . . 25.0 110.853 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 72' ' ' GLN . 71.5 t -57.96 -44.88 87.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 176.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.4 mt -70.8 -36.25 72.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.346 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 t -63.88 -44.11 97.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.789 -0.449 . . . . 25.0 109.789 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.24 85.16 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.901 -0.5 . . . . 25.0 110.48 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.47 99.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.377 0.608 . . . . 25.0 110.488 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.95 -36.23 79.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.423 0.63 . . . . 25.0 109.828 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.5 m -62.27 -48.31 80.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.211 -0.449 . . . . 25.0 111.123 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.482 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.2 m -67.35 -18.87 24.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 N-CA-C 113.79 1.033 . . . . 25.0 113.79 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.956 0 CA-C-O 121.292 0.568 . . . . 25.0 112.194 171.305 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.236 0.376 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -61.56 -39.12 89.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.118 0.485 . . . . 25.0 110.594 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.47 HD12 HG11 ' A' ' 14' ' ' VAL . 1.8 tt -67.13 -42.39 84.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.674 0.75 . . . . 25.0 109.942 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -66.05 -35.55 80.85 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 121.715 -0.616 . . . . 25.0 110.993 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -74.65 -26.98 60.23 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.259 -0.576 . . . . 25.0 110.907 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.03 94.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 175.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.8 mmm -71.06 -33.93 70.72 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.705 0.631 . . . . 25.0 112.705 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.12 -29.24 68.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.878 0.763 . . . . 25.0 109.038 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -64.08 -44.26 92.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.777 0.322 . . . . 25.0 110.489 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.4 -36.54 78.34 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.56 -46.1 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.287 -0.634 . . . . 25.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.52 -45.05 89.65 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.159 0.504 . . . . 25.0 110.905 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.422 HG11 HD12 ' A' ' 4' ' ' LEU . 79.6 t -65.64 -44.49 93.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 115.084 -0.962 . . . . 25.0 110.666 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -59.7 -46.8 87.97 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.765 -0.585 . . . . 25.0 109.779 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -66.57 -21.55 66.15 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.96 89.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.669 0.271 . . . . 25.0 110.62 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -102.38 -14.62 16.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.894 0.701 . . . . 25.0 112.894 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.6 p -63.46 167.68 5.27 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 -173.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.536 0 N-CA-C 115.04 0.776 . . . . 25.0 115.04 175.1 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 121.169 0.509 . . . . 25.0 111.553 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.65 135.78 20.13 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 106.773 -1.566 . . . . 25.0 106.773 174.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -65.17 146.14 55.36 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.816 -0.553 . . . . 25.0 109.783 -179.685 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -58.52 -43.37 89.13 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.203 0.816 . . . . 25.0 113.203 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.76 -29.79 70.35 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.841 0.746 . . . . 25.0 111.116 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -78.55 -25.85 45.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.711 -0.677 . . . . 25.0 109.818 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.467 HD22 HG21 ' B' ' 69' ' ' VAL . 17.1 tp -65.59 -30.83 71.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.987 -0.446 . . . . 25.0 110.504 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -61.08 -31.3 70.97 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 120.837 -0.345 . . . . 25.0 110.846 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -63.58 -48.54 76.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.2 -46.01 92.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.89 -0.782 . . . . 25.0 108.89 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.2 -30.72 71.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.262 0.554 . . . . 25.0 111.822 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -81.92 -22.33 36.82 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 122.94 0.496 . . . . 25.0 111.47 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 43.2 m -97.64 -56.71 2.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.847 -0.615 . . . . 25.0 112.523 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -90.15 -18.17 26.29 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -174.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.421 HD13 HD22 ' A' ' 4' ' ' LEU . 11.2 tp -113.81 11.69 18.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.453 0.644 . . . . 25.0 109.446 176.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.09 -38.82 18.53 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.078 1.51 . . . . 25.0 115.078 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.51 -28.89 72.93 Favored Glycine 0 C--O 1.224 -0.494 0 C-N-CA 120.79 -0.719 . . . . 25.0 112.553 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -79.5 -28.33 41.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.696 -0.884 . . . . 25.0 108.764 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.4 mt -69.39 -39.33 78.06 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.289 -0.634 . . . . 25.0 109.289 175.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -67.37 -33.96 76.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.612 0.72 . . . . 25.0 111.406 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.73 24.74 7.96 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.062 -0.517 . . . . 25.0 111.173 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -62.2 152.38 33.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.928 0.394 . . . . 25.0 110.156 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -128.41 -48.3 1.3 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -82.22 87.44 6.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 175.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.53 -24.7 36.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 CA-C-N 115.687 -0.688 . . . . 25.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.21 -41.89 60.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.095 0.474 . . . . 25.0 111.23 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.55 -37.17 37.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.452 -0.34 . . . . 25.0 111.679 -176.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 p -64.88 -37.65 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -79.31 -29.44 42.38 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.212 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -60.88 -40.77 94.23 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 120.752 -0.379 . . . . 25.0 111.528 176.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -67.0 -41.12 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.4 mmt -69.29 -46.79 66.33 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 115.561 -0.745 . . . . 25.0 112.188 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.98 -36.44 82.18 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 121.363 -0.135 . . . . 25.0 110.668 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -61.28 -44.46 97.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.03 -21.92 50.01 Favored 'General case' 0 C--O 1.205 -1.284 0 C-N-CA 119.327 -0.949 . . . . 25.0 110.148 -177.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -63.53 -26.28 68.63 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.884 -0.51 . . . . 25.0 111.268 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -101.03 -25.53 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.47 0.653 . . . . 25.0 110.794 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -97.19 9.06 43.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.771 -0.65 . . . . 25.0 111.281 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.89 -24.49 62.7 Favored Glycine 0 C--O 1.217 -0.923 0 N-CA-C 116.63 1.412 . . . . 25.0 116.63 -167.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.67 3.14 48.98 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.676 0.75 . . . . 25.0 110.448 -171.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.52 -156.4 31.83 Favored Glycine 0 N--CA 1.421 -2.35 0 N-CA-C 105.72 -2.952 . . . . 25.0 105.72 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -150.97 165.19 34.47 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.055 0.455 . . . . 25.0 110.375 -173.6 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.467 HG21 HD22 ' B' ' 33' ' ' LEU . 3.4 m -136.79 167.48 23.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.334 -0.848 . . . . 25.0 108.972 178.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -119.82 -174.15 2.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 105.979 -1.86 . . . . 25.0 105.979 174.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.09 -47.55 68.48 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.482 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.5 tt0 -55.21 -47.12 75.77 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.294 0.497 . . . . 25.0 110.77 -177.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.81 -44.47 73.45 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-O 122.076 0.941 . . . . 25.0 109.05 -174.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -40.78 81.43 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.939 -1.028 . . . . 25.0 110.421 -178.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.1 t -71.41 -36.33 60.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 122.238 -0.289 . . . . 25.0 110.95 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.421 HG22 HG22 ' A' ' 76' ' ' VAL . 55.0 t -59.96 -44.65 95.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.593 -0.521 . . . . 25.0 109.593 177.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.4 mt -69.4 -37.4 77.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.128 0.49 . . . . 25.0 110.831 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.1 t -62.53 -44.09 99.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.37 82.96 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.06 -0.4 . . . . 25.0 111.287 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.73 97.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.298 0.571 . . . . 25.0 110.1 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.25 -35.85 78.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.426 0.632 . . . . 25.0 109.64 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 76.3 m -61.81 -44.94 95.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.081 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.481 HG11 ' HB2' ' A' ' 72' ' ' GLN . 28.6 m -71.15 -26.98 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 120.878 -1.139 . . . . 25.0 111.693 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 121.569 0.7 . . . . 25.0 110.831 174.901 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p . . . . . 0 C--O 1.235 0.308 0 N-CA-C 110.613 -0.143 . . . . 25.0 110.613 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.28 -41.5 97.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.975 0.417 . . . . 25.0 110.617 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.447 HD22 HD13 ' B' ' 41' ' ' LEU . 2.8 tt -65.3 -41.85 93.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.27 0.557 . . . . 25.0 110.189 177.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.26 -40.7 98.14 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.623 -0.673 . . . . 25.0 110.82 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.9 p -71.7 -27.81 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.449 -0.5 . . . . 25.0 110.64 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.48 95.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -72.78 -32.03 65.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.585 0.957 . . . . 25.0 113.585 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.77 -26.6 65.3 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.1 m -64.74 -43.3 93.8 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.573 -0.285 . . . . 25.0 110.634 172.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.4 -36.31 77.83 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.51 -45.4 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.73 -49.41 77.73 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.068 0.461 . . . . 25.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.424 HG11 HD12 ' B' ' 4' ' ' LEU . 69.7 t -62.2 -44.24 98.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.664 -0.698 . . . . 25.0 111.794 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.51 -48.39 79.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.764 -0.585 . . . . 25.0 110.263 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -62.6 -29.49 70.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.922 -0.581 . . . . 25.0 111.835 -177.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.88 93.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.112 0.412 . . . . 25.0 112.112 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -93.73 -19.38 21.13 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 -177.696 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.844 0.354 . . . . 25.0 110.602 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -126.78 156.85 40.58 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -141.28 130.41 23.39 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.548 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.2 m -68.21 145.96 53.82 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 122.099 -0.376 . . . . 25.0 110.087 -177.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -57.49 -46.82 83.3 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.173 1.175 . . . . 25.0 114.173 -174.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -31.35 68.88 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.467 0.576 . . . . 25.0 112.211 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -80.31 -24.67 39.78 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 121.202 0.525 . . . . 25.0 110.406 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD22 HG21 ' A' ' 69' ' ' VAL . 19.0 tp -66.52 -30.64 71.0 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.779 -0.576 . . . . 25.0 109.887 176.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -60.8 -31.67 71.05 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.276 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.09 -48.98 76.28 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.195 -0.669 . . . . 25.0 109.195 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.9 -46.61 88.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.729 0.776 . . . . 25.0 109.185 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.3 -31.27 72.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.431 -0.804 . . . . 25.0 111.77 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -81.84 -22.33 37.06 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.104 0.562 . . . . 25.0 111.678 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.6 m -94.79 -55.85 2.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.887 -0.597 . . . . 25.0 112.426 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -87.61 -44.62 11.09 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.363 0.601 . . . . 25.0 111.592 -176.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 tp -86.46 9.32 18.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.5 0.667 . . . . 25.0 110.321 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -38.75 23.49 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 115.308 1.596 . . . . 25.0 115.308 176.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.02 -40.16 84.16 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.345 -0.931 . . . . 25.0 111.043 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -68.16 -29.04 67.83 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 122.025 -0.691 . . . . 25.0 109.384 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.13 -42.58 69.02 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 109.484 -0.562 . . . . 25.0 109.484 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.01 -32.32 70.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.614 0.721 . . . . 25.0 111.402 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.51 20.25 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.174 -0.466 . . . . 25.0 109.796 -176.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.25 152.35 25.08 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -138.17 -47.26 0.53 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' HB2' ' HA ' ' A' ' 84' ' ' ALA . 15.9 m-20 -82.39 79.56 8.81 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.376 -1.342 . . . . 25.0 107.376 175.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.413 ' HA ' HG12 ' A' ' 54' ' ' VAL . 35.0 m -63.19 -24.46 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.243 -0.889 . . . . 25.0 111.512 -174.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.81 -37.97 87.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.292 0.567 . . . . 25.0 110.275 177.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.88 -40.44 22.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.82 -0.627 . . . . 25.0 112.589 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 p -65.29 -37.97 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.584 0.707 . . . . 25.0 109.541 -175.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -77.71 -28.79 50.99 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.387 -0.824 . . . . 25.0 110.728 -175.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -60.96 -37.42 82.32 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 122.006 -0.434 . . . . 25.0 111.708 177.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.3 -42.24 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 122.188 0.994 . . . . 25.0 108.798 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.1 mmt -70.33 -48.41 56.62 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.148 -0.933 . . . . 25.0 111.859 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -35.66 81.7 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.473 -0.195 . . . . 25.0 110.473 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -60.33 -48.53 81.34 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.87 -19.68 51.35 Favored 'General case' 0 C--O 1.207 -1.136 0 C-N-CA 119.073 -1.051 . . . . 25.0 110.561 -174.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.61 -28.23 69.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.168 0.508 . . . . 25.0 110.935 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -104.1 -23.45 13.29 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.366 0.603 . . . . 25.0 110.973 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -95.8 18.58 12.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.917 0.865 . . . . 25.0 109.444 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.73 24.97 3.05 Favored Glycine 0 C--O 1.212 -1.244 0 CA-C-N 115.362 -0.836 . . . . 25.0 112.961 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -115.78 -4.17 12.16 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 122.68 -0.306 . . . . 25.0 111.608 168.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.09 -158.1 32.75 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 109.247 -1.541 . . . . 25.0 109.247 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 14.1 pt-20 -151.69 159.51 43.97 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 113.459 -1.371 . . . . 25.0 110.087 -174.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.42 HG21 HD22 ' A' ' 33' ' ' LEU . 6.4 m -133.95 173.2 15.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.529 -0.76 . . . . 25.0 110.381 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -124.26 -174.36 2.99 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 105.731 -1.952 . . . . 25.0 105.731 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -52.8 -48.12 67.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.697 0.999 . . . . 25.0 113.697 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.505 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.2 tt0 -55.25 -45.64 76.06 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.173 0.442 . . . . 25.0 111.426 -177.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -40.67 69.26 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 122.079 0.942 . . . . 25.0 110.005 -175.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -38.84 83.68 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.304 -0.862 . . . . 25.0 109.85 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.443 HG11 ' HB2' ' B' ' 79' ' ' ALA . 78.1 t -71.79 -36.23 57.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 121.215 -0.194 . . . . 25.0 110.725 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 72' ' ' GLN . 78.4 t -58.16 -46.56 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 177.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.12 -36.16 74.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.892 -0.594 . . . . 25.0 111.05 -177.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.2 t -63.48 -45.23 98.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.59 90.9 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.092 -0.38 . . . . 25.0 110.124 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.42 97.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.289 0.566 . . . . 25.0 111.033 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 tt -70.92 -35.72 72.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.226 0.536 . . . . 25.0 109.811 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.3 m -61.56 -48.91 78.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.99 -0.444 . . . . 25.0 111.127 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.539 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.5 m -62.11 -23.78 32.73 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 N-CA-C 113.581 0.956 . . . . 25.0 113.581 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HA ' ' HB2' ' A' ' 50' ' ' ASP . . . . . . . . 0 CA--C 1.554 1.111 0 N-CA-C 113.805 1.039 . . . . 25.0 113.805 172.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.05 -43.29 95.49 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.392 0.615 . . . . 25.0 111.56 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.424 HD12 HG11 ' A' ' 14' ' ' VAL . 3.2 tt -65.54 -40.66 93.13 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 122.008 0.908 . . . . 25.0 109.14 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -67.88 -35.54 78.69 Favored 'General case' 0 C--N 1.313 -0.988 0 O-C-N 121.509 -0.744 . . . . 25.0 111.36 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 p -71.73 -27.98 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.503 -0.479 . . . . 25.0 109.881 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.1 82.22 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 174.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.6 mmm -70.93 -33.47 70.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -69.47 -27.3 65.11 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.8 m -65.49 -44.05 88.28 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 110.05 -0.352 . . . . 25.0 110.05 171.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.38 -36.36 77.89 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.392 -0.595 . . . . 25.0 109.392 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.89 -47.94 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.28 -48.5 80.26 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.379 0.609 . . . . 25.0 110.721 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.414 HG11 HD12 ' A' ' 4' ' ' LEU . 72.5 t -63.29 -43.59 98.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.431 -0.804 . . . . 25.0 111.744 -178.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -61.66 -46.77 88.33 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.593 -0.692 . . . . 25.0 109.527 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -61.95 -25.36 67.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.461 -0.791 . . . . 25.0 112.775 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.14 99.36 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.373 0.509 . . . . 25.0 112.373 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -95.51 -21.53 18.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.791 0.329 . . . . 25.0 111.269 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.6 t -59.76 150.07 29.09 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.211 0.605 . . . . 25.0 112.139 -176.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.281 0 N-CA-C 115.907 1.123 . . . . 25.0 115.907 178.935 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? . . . . . 0 CA--C 1.516 -0.352 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -142.32 135.73 28.99 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.95 150.94 47.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -59.96 -42.97 95.27 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 113.257 0.836 . . . . 25.0 113.257 -176.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -29.39 69.95 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.29 0.95 . . . . 25.0 110.405 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.03 -24.02 47.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.479 -0.782 . . . . 25.0 109.479 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.46 HD22 HG21 ' B' ' 69' ' ' VAL . 22.7 tp -70.02 -36.7 75.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.898 -0.501 . . . . 25.0 109.794 175.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.556 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.9 ttpt -58.78 -33.34 70.21 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 116.485 -0.325 . . . . 25.0 110.42 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.56 -47.87 83.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.58 -45.41 94.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.353 0.597 . . . . 25.0 109.423 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mp -64.19 -30.08 71.16 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 121.455 0.645 . . . . 25.0 111.295 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -81.54 -22.69 37.72 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.993 -0.442 . . . . 25.0 111.032 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 41.3 m -93.72 -61.63 1.51 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.638 -0.71 . . . . 25.0 111.622 -177.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -83.19 -44.65 14.8 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.412 0.625 . . . . 25.0 111.796 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.447 HD13 HD22 ' A' ' 4' ' ' LEU . 12.4 tp -83.79 9.94 10.72 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.057 0.456 . . . . 25.0 110.041 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -50.03 -39.59 42.23 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 175.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.5 -31.56 74.0 Favored Glycine 0 C--O 1.225 -0.429 0 C-N-CA 119.991 -1.1 . . . . 25.0 111.84 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -78.26 -22.37 48.46 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.865 -0.785 . . . . 25.0 110.087 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.34 -39.16 48.58 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.99 -32.62 73.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.816 0.817 . . . . 25.0 111.795 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.56 12.72 17.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 25.0 111.099 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.72 151.4 14.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.198 0.523 . . . . 25.0 112.343 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -133.48 -44.34 0.83 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -81.13 88.56 5.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.486 0.66 . . . . 25.0 109.824 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.1 m -67.24 -22.8 29.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.585 -0.734 . . . . 25.0 111.607 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -77.98 -44.28 27.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.132 0.491 . . . . 25.0 110.107 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.44 -39.29 62.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.506 -0.316 . . . . 25.0 111.803 -177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.68 -38.62 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 -177.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -80.13 -30.33 39.01 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 116.07 -0.514 . . . . 25.0 110.904 -175.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -58.37 -42.04 86.12 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.484 -0.325 . . . . 25.0 111.724 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.57 -40.18 81.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.975 0.893 . . . . 25.0 108.659 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.8 mmt -69.36 -49.56 54.44 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 115.537 -0.756 . . . . 25.0 112.148 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -36.43 83.79 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.976 -0.29 . . . . 25.0 110.441 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.01 -45.4 94.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 177.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -78.26 -22.37 48.42 Favored 'General case' 0 C--O 1.206 -1.187 0 C-N-CA 119.006 -1.078 . . . . 25.0 110.806 -176.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.24 -27.14 68.23 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.087 -0.383 . . . . 25.0 111.659 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -104.7 -22.62 13.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.475 0.655 . . . . 25.0 111.071 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -96.36 14.43 24.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.53 0.681 . . . . 25.0 109.358 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.65 -22.19 63.71 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 115.391 0.917 . . . . 25.0 115.391 -170.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.33 4.43 50.81 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.723 0.773 . . . . 25.0 110.45 -174.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.87 -156.3 31.27 Favored Glycine 0 N--CA 1.419 -2.485 0 N-CA-C 103.825 -3.71 . . . . 25.0 103.825 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -153.36 169.34 23.34 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.861 -0.788 . . . . 25.0 110.401 -173.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.46 HG21 HD22 ' B' ' 33' ' ' LEU . 3.3 m -139.37 170.64 15.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.012 -0.995 . . . . 25.0 109.806 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.05 -174.29 3.22 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 104.955 -2.239 . . . . 25.0 104.955 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -53.11 -48.11 68.08 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 113.094 0.775 . . . . 25.0 113.094 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.539 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.5 tt0 -54.93 -45.03 74.78 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.289 0.495 . . . . 25.0 111.135 -177.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.73 -49.12 61.41 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.425 1.107 . . . . 25.0 108.756 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.407 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -57.36 -39.98 77.1 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.466 -1.243 . . . . 25.0 111.21 -175.363 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.2 t -70.66 -37.18 68.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.647 0.261 . . . . 25.0 110.855 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.456 HG22 HG22 ' A' ' 76' ' ' VAL . 53.6 t -61.83 -43.72 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.166 0.508 . . . . 25.0 109.783 177.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.8 mt -69.13 -37.0 78.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.337 0.589 . . . . 25.0 110.494 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 10.9 t -62.76 -43.09 98.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.443 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -67.11 -36.78 82.65 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.001 -0.437 . . . . 25.0 111.362 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.64 97.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.621 0.724 . . . . 25.0 109.776 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.66 -33.24 70.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.42 0.629 . . . . 25.0 110.155 177.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -63.92 -44.82 91.78 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.112 -0.367 . . . . 25.0 111.273 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.505 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.9 m -69.62 -23.64 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.673 -0.642 . . . . 25.0 111.881 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.042 0 CA-C-O 121.477 0.656 . . . . 25.0 112.078 171.513 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 119.941 -0.076 . . . . 25.0 110.808 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -61.75 -46.49 89.4 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.393 0.616 . . . . 25.0 110.704 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.47 -39.92 94.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.875 0.845 . . . . 25.0 109.761 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -69.84 -36.07 75.27 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.846 -0.534 . . . . 25.0 112.258 -176.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 p -73.73 -29.66 62.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.15 87.29 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.1 mmm -70.57 -32.71 70.21 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.689 0.996 . . . . 25.0 113.689 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.45 -25.54 63.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.115 -0.698 . . . . 25.0 109.115 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -64.72 -42.4 95.26 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.118 -0.364 . . . . 25.0 110.159 170.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.25 -35.06 77.8 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.8 mt -67.17 -47.18 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.82 -51.16 70.72 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.26 0.552 . . . . 25.0 111.258 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.92 -34.42 64.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 CA-C-N 115.73 -0.668 . . . . 25.0 111.957 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.95 -43.08 99.76 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 120.989 -1.069 . . . . 25.0 109.665 171.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -66.93 -16.68 64.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.772 0.656 . . . . 25.0 112.772 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.87 79.06 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 121.191 -0.204 . . . . 25.0 111.189 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -102.82 -20.38 14.34 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.17 0.509 . . . . 25.0 109.751 -178.027 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 N--CA 1.461 0.094 0 CA-C-O 120.698 0.285 . . . . 25.0 110.672 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.38 163.57 25.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.175 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.95 137.82 23.85 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.1 152.76 42.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.26 -0.275 . . . . 25.0 111.117 177.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -66.1 -43.4 87.38 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -30.47 71.04 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.063 0.847 . . . . 25.0 109.654 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -77.24 -23.49 51.29 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.123 -0.944 . . . . 25.0 110.276 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.496 HD11 ' HD1' ' A' ' 74' ' ' TYR . 27.0 tp -75.24 -31.27 60.77 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 121.67 -0.644 . . . . 25.0 110.536 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.694 ' HB2' HD11 ' A' ' 61' ' ' LEU . 33.7 ttpt -58.17 -35.5 71.65 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 120.059 -0.656 . . . . 25.0 109.894 176.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.9 -49.24 78.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.02 -44.75 96.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.464 0.649 . . . . 25.0 109.71 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.83 -30.58 71.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.845 -0.616 . . . . 25.0 111.974 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -81.59 -22.2 37.89 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 122.874 0.47 . . . . 25.0 111.118 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.5 m -95.22 -51.7 4.5 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 -175.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -91.68 -45.2 8.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.194 0.521 . . . . 25.0 112.138 -176.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.1 tp -85.49 8.7 18.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.824 0.821 . . . . 25.0 109.286 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.34 -39.14 21.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.657 1.725 . . . . 25.0 115.657 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.5 -38.6 79.51 Favored Glycine 0 N--CA 1.458 0.16 0 C-N-CA 120.371 -0.918 . . . . 25.0 110.97 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -69.38 -32.21 71.1 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -69.12 -44.12 73.04 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.724 0.64 . . . . 25.0 109.952 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.17 -32.85 74.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.733 0.777 . . . . 25.0 111.544 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.35 29.76 3.46 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 115.838 -0.619 . . . . 25.0 109.588 -176.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -62.88 155.81 26.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.32 -0.622 . . . . 25.0 109.32 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -132.28 -49.24 0.92 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.636 0.732 . . . . 25.0 109.265 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' HB2' ' HA ' ' A' ' 84' ' ' ALA . 22.6 m-20 -85.91 87.68 7.45 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.04 -0.982 . . . . 25.0 108.919 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -62.07 -27.92 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.627 -175.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.26 -37.56 83.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.521 0.677 . . . . 25.0 109.494 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.17 -27.98 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.837 0.68 . . . . 25.0 112.837 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.78 -39.61 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -80.26 -21.45 42.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.034 0.445 . . . . 25.0 111.564 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -53.52 -31.28 45.48 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.499 -0.773 . . . . 25.0 109.746 170.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.79 -48.31 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.278 0.561 . . . . 25.0 111.469 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.0 mmt -66.92 -53.65 29.89 Favored 'General case' 0 CA--C 1.487 -1.451 0 N-CA-C 112.824 0.676 . . . . 25.0 112.824 -172.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -34.78 78.54 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.477 -0.489 . . . . 25.0 109.94 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.31 -50.87 72.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -80.41 -19.66 45.7 Favored 'General case' 0 C--O 1.211 -0.94 0 C-N-CA 119.437 -0.905 . . . . 25.0 111.544 -173.185 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.38 -29.19 67.53 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.941 0.401 . . . . 25.0 111.471 -178.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -108.11 -22.28 12.45 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.257 0.551 . . . . 25.0 111.814 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -96.51 15.43 21.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.775 0.797 . . . . 25.0 109.87 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.6 -19.36 62.55 Favored Glycine 0 C--O 1.22 -0.762 0 N-CA-C 115.872 1.109 . . . . 25.0 115.872 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -92.05 5.4 50.36 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.722 0.773 . . . . 25.0 110.482 -171.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.32 -160.26 36.25 Favored Glycine 0 N--CA 1.417 -2.628 0 N-CA-C 103.627 -3.789 . . . . 25.0 103.627 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.41 163.26 40.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.09 -0.555 . . . . 25.0 109.854 -172.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -142.11 169.94 12.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.201 -0.908 . . . . 25.0 109.446 -175.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.61 -174.23 2.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.382 -1.71 . . . . 25.0 106.382 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -52.56 -47.54 66.73 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.533 ' HB2' HG11 ' B' ' 83' ' ' VAL . 59.5 tt0 -54.69 -47.02 74.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.497 0.59 . . . . 25.0 111.004 -178.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -79.62 -31.73 41.66 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-O 121.558 0.694 . . . . 25.0 109.9 -171.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.496 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -59.64 -41.47 90.6 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.493 -0.929 . . . . 25.0 108.493 175.291 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.1 t -71.34 -36.83 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.815 -0.175 . . . . 25.0 110.659 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.1 t -57.43 -44.99 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.0 mt -70.29 -37.74 74.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.707 0.289 . . . . 25.0 111.2 -178.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.86 -45.71 98.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.922 -0.399 . . . . 25.0 109.922 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.82 -36.77 80.96 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.002 -0.437 . . . . 25.0 110.612 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.71 92.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.253 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -71.27 -37.79 71.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.325 -0.621 . . . . 25.0 109.325 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.0 m -59.83 -41.7 91.93 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 112.293 0.479 . . . . 25.0 112.293 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' B' ' 72' ' ' GLN 0.303 27.5 m -67.58 -17.02 21.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 N-CA-C 114.462 1.282 . . . . 25.0 114.462 175.748 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 50' ' ' ASP . . . . . . . . 0 CA--C 1.56 1.357 0 O-C-N 120.333 -1.479 . . . . 25.0 109.369 172.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.496 0 N-CA-C 109.562 -0.532 . . . . 25.0 109.562 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.3 -44.58 95.29 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.799 0.727 . . . . 25.0 111.6 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.02 -39.54 93.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.81 0.815 . . . . 25.0 109.507 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -68.79 -37.94 79.64 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.806 -0.559 . . . . 25.0 111.727 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.3 p -71.3 -28.54 64.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.57 81.82 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.5 mmm -70.45 -31.85 69.18 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.21 -24.87 62.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.7 m -66.54 -42.24 87.48 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.1 -35.53 78.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.8 -47.51 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 177.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -58.45 -51.67 68.87 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.121 0.486 . . . . 25.0 111.403 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.56 -33.08 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.821 -0.627 . . . . 25.0 112.094 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -62.96 -45.0 94.51 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.186 -0.946 . . . . 25.0 109.097 171.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -66.42 -18.79 65.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.993 0.738 . . . . 25.0 112.993 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.67 80.01 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 122.319 -0.238 . . . . 25.0 110.895 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -101.72 -19.01 15.56 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.6 p -65.83 152.96 43.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 25.0 109.869 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.553 0 C-N-CA 120.878 -0.677 . . . . 25.0 112.935 -175.7 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp . . . . . 0 CA--C 1.515 -0.401 0 CA-C-O 120.917 0.389 . . . . 25.0 110.044 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.69 130.08 27.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 106.725 -1.583 . . . . 25.0 106.725 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -66.19 150.05 49.37 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 -178.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -64.31 -41.63 96.73 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 113.644 0.979 . . . . 25.0 113.644 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -29.11 70.19 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.758 -1.214 . . . . 25.0 109.729 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -81.33 -23.68 37.63 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.683 0.754 . . . . 25.0 109.83 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.418 HD11 ' HD1' ' B' ' 74' ' ' TYR . 10.4 tp -68.13 -36.48 79.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 173.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.678 ' HB2' HD11 ' B' ' 61' ' ' LEU . 31.7 ttpt -60.33 -35.2 75.09 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 120.412 -0.515 . . . . 25.0 110.208 178.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.53 -48.84 79.21 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.41 -46.2 89.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.616 0.722 . . . . 25.0 109.717 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.95 -31.32 72.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.072 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -81.75 -22.67 37.13 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 123.57 0.748 . . . . 25.0 111.001 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 58.5 m -94.36 -51.61 4.71 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -93.14 -45.28 7.96 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.301 0.572 . . . . 25.0 112.21 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.7 tp -84.23 8.37 16.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.855 0.836 . . . . 25.0 109.525 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -35.43 16.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 115.486 1.661 . . . . 25.0 115.486 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.8 -40.4 75.48 Favored Glycine 0 C--O 1.229 -0.19 0 C-N-CA 120.195 -1.002 . . . . 25.0 111.096 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -70.36 -31.41 68.66 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.977 -0.749 . . . . 25.0 108.977 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 26.1 tp -68.25 -45.17 73.94 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 123.232 0.613 . . . . 25.0 111.098 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.14 -35.57 81.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.499 -0.773 . . . . 25.0 111.025 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.8 30.23 3.08 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 116.012 -0.54 . . . . 25.0 109.994 -176.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.23 156.07 26.48 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -136.86 -52.69 0.69 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.61 0.243 . . . . 25.0 111.038 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -79.83 86.42 5.38 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.834 -1.173 . . . . 25.0 107.834 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.15 -27.96 44.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.163 -0.471 . . . . 25.0 111.848 -174.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.79 -36.04 79.74 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.89 -31.53 31.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.586 0.588 . . . . 25.0 112.586 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.24 -41.59 66.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.335 -0.617 . . . . 25.0 109.335 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -80.01 -22.12 42.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.938 0.399 . . . . 25.0 111.469 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -53.18 -33.64 53.49 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.855 -0.611 . . . . 25.0 109.899 171.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 50.6 t -88.01 -47.52 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.485 0.66 . . . . 25.0 111.317 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.3 mmt -69.34 -51.35 37.84 Favored 'General case' 0 CA--C 1.488 -1.414 0 N-CA-C 113.056 0.762 . . . . 25.0 113.056 -172.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -35.27 79.05 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.58 -0.448 . . . . 25.0 109.921 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -59.36 -50.51 73.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.296 -0.631 . . . . 25.0 109.296 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -79.15 -20.59 48.14 Favored 'General case' 0 C--O 1.208 -1.12 0 C-N-CA 119.221 -0.992 . . . . 25.0 111.083 -173.357 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.36 -28.3 68.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.981 0.42 . . . . 25.0 111.456 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -106.99 -22.44 12.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.463 0.649 . . . . 25.0 111.513 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -96.22 17.13 16.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.793 0.806 . . . . 25.0 109.538 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.39 -19.92 64.93 Favored Glycine 0 C--O 1.215 -1.048 0 N-CA-C 115.309 0.884 . . . . 25.0 115.309 -170.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -91.08 6.31 45.43 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.569 0.7 . . . . 25.0 110.605 -170.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.63 -158.18 34.16 Favored Glycine 0 N--CA 1.418 -2.544 0 N-CA-C 104.439 -3.464 . . . . 25.0 104.439 173.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 2.9 pp20? -151.07 163.96 37.56 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.047 -0.723 . . . . 25.0 109.047 -174.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 m -140.78 164.52 21.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 123.78 0.675 . . . . 25.0 109.381 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -114.62 -174.13 2.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -52.48 -48.26 66.02 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 112.846 0.684 . . . . 25.0 112.846 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.475 ' HB2' HG11 ' A' ' 83' ' ' VAL . 59.4 tt0 -53.96 -48.35 70.41 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 118.442 0.565 . . . . 25.0 110.492 -177.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -74.22 -40.96 62.09 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.382 0.611 . . . . 25.0 109.44 -171.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.418 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -56.07 -41.35 74.98 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.803 -0.635 . . . . 25.0 109.958 178.531 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.91 -38.16 63.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 122.11 -0.369 . . . . 25.0 111.14 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.412 HG22 HG22 ' A' ' 76' ' ' VAL . 54.8 t -58.89 -43.52 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 177.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.59 -35.53 73.06 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.878 0.37 . . . . 25.0 111.111 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -64.05 -44.21 97.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.53 79.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.873 -0.517 . . . . 25.0 110.852 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.18 86.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.112 0.482 . . . . 25.0 110.625 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 tt -72.91 -35.47 67.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.323 0.583 . . . . 25.0 109.945 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.8 m -63.14 -43.79 97.36 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.297 -0.41 . . . . 25.0 111.274 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.533 HG11 ' HB2' ' A' ' 72' ' ' GLN . 24.6 m -66.24 -23.82 32.49 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 177.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 CA-C-O 121.73 0.776 . . . . 25.0 112.396 172.398 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 110.636 -0.135 . . . . 25.0 110.636 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.45 -45.11 95.65 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.24 0.543 . . . . 25.0 110.699 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.434 HD22 HD13 ' B' ' 41' ' ' LEU . 2.3 tt -66.45 -41.34 89.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.548 0.689 . . . . 25.0 110.178 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -64.53 -36.51 84.44 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.605 -0.684 . . . . 25.0 111.384 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -75.41 -28.65 59.49 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.596 -0.441 . . . . 25.0 110.256 177.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.9 99.81 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 173.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.7 mmm -72.74 -33.69 66.54 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.7 -28.06 67.35 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.0 m -64.22 -43.0 96.31 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.421 -0.354 . . . . 25.0 111.207 173.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.76 -37.89 83.38 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.92 -46.26 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.3 -44.45 88.53 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 120.9 0.381 . . . . 25.0 112.007 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.538 HG11 HD12 ' B' ' 4' ' ' LEU . 87.0 t -67.17 -43.48 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.279 -0.418 . . . . 25.0 111.187 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -59.99 -43.57 95.07 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.656 -0.652 . . . . 25.0 110.062 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -69.03 -19.17 64.11 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 -176.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.31 -29.78 69.44 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 122.157 -0.339 . . . . 25.0 111.455 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -109.18 -11.3 14.92 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.862 0.689 . . . . 25.0 112.862 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.9 p . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 121.421 0.629 . . . . 25.0 111.995 -175.948 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 . . . . . 0 N--CA 1.466 0.354 0 CA-C-O 120.545 0.212 . . . . 25.0 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -130.25 146.3 51.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -174.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -140.88 133.53 28.73 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 109.314 -0.624 . . . . 25.0 109.314 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 3.3 m -69.5 147.39 50.92 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.982 -0.449 . . . . 25.0 111.457 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 -175.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -30.34 53.66 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.913 0.709 . . . . 25.0 112.913 176.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -79.85 -30.26 40.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.408 0.623 . . . . 25.0 110.436 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.446 HD22 HG21 ' A' ' 69' ' ' VAL . 15.3 tp -62.95 -29.43 70.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.165 -0.47 . . . . 25.0 111.002 176.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.518 ' HB2' HD11 ' A' ' 61' ' ' LEU . 35.6 ttpt -61.43 -34.84 76.08 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 120.644 -0.422 . . . . 25.0 110.603 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.29 -45.43 84.43 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.19 -47.1 87.39 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.72 -32.82 73.07 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 121.412 0.625 . . . . 25.0 111.578 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -81.94 -17.59 46.51 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 123.386 0.675 . . . . 25.0 112.048 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -105.26 -51.0 3.1 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.924 0.712 . . . . 25.0 112.924 -175.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -89.27 -17.68 28.52 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.495 0.664 . . . . 25.0 110.195 -174.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -119.7 12.31 12.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.0 -1.0 . . . . 25.0 110.715 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -31.74 7.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 172.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.32 -34.1 46.78 Favored Glycine 0 C--O 1.225 -0.439 0 C-N-CA 120.515 -0.85 . . . . 25.0 111.395 -177.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -76.32 -27.87 56.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -40.15 76.7 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 109.588 -0.523 . . . . 25.0 109.588 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -68.0 -31.16 70.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.898 0.856 . . . . 25.0 110.307 176.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.49 18.39 11.39 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.577 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.88 151.2 35.26 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -133.1 -44.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -84.55 85.97 7.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 m -63.54 -23.82 34.28 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 115.193 -0.912 . . . . 25.0 111.142 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.01 -39.39 63.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.978 0.418 . . . . 25.0 110.779 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.42 -38.37 49.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.206 0.447 . . . . 25.0 112.206 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -63.6 -37.02 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -76.4 -29.57 57.15 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 115.138 -0.937 . . . . 25.0 111.15 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -38.57 86.23 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.822 -0.351 . . . . 25.0 110.802 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.78 -43.64 79.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 122.041 0.924 . . . . 25.0 109.435 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -69.67 -47.7 62.37 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.464 -0.789 . . . . 25.0 112.237 -174.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -37.48 87.72 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.67 -48.61 80.48 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.69 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -78.01 -20.89 51.65 Favored 'General case' 0 C--O 1.209 -1.071 0 C-N-CA 119.043 -1.063 . . . . 25.0 110.356 -174.609 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.68 -26.8 66.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.208 0.527 . . . . 25.0 110.13 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -95.15 -29.23 14.65 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.828 0.823 . . . . 25.0 109.453 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -94.83 25.26 4.19 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.261 -0.882 . . . . 25.0 109.148 177.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.64 18.27 4.83 Favored Glycine 0 C--O 1.216 -0.971 0 CA-C-N 115.815 -0.63 . . . . 25.0 113.381 -176.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -116.76 -3.82 11.68 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.091 0.472 . . . . 25.0 110.104 168.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.98 -156.3 32.61 Favored Glycine 0 N--CA 1.436 -1.362 0 CA-C-O 122.759 1.199 . . . . 25.0 110.52 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -153.93 170.7 20.42 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 113.853 -1.174 . . . . 25.0 110.257 -170.04 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.446 HG21 HD22 ' A' ' 33' ' ' LEU . 2.7 m -144.3 168.92 10.01 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 O-C-N 124.473 1.108 . . . . 25.0 109.559 176.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -121.94 -174.08 2.8 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 104.927 -2.249 . . . . 25.0 104.927 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -54.03 -47.0 72.03 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.494 ' HB2' HG11 ' B' ' 83' ' ' VAL . 60.2 tt0 -55.77 -46.4 77.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.179 0.445 . . . . 25.0 111.155 -177.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -74.5 -37.19 63.19 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.679 0.752 . . . . 25.0 109.911 -173.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -41.24 87.14 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 178.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.92 -35.83 55.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 122.141 -0.35 . . . . 25.0 111.439 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.7 t -57.76 -46.07 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.2 mt -70.32 -36.53 74.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.2 -0.454 . . . . 25.0 110.863 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.6 t -62.85 -44.5 99.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.651 -0.5 . . . . 25.0 109.651 176.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.63 91.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.037 -0.414 . . . . 25.0 110.207 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.8 -43.18 97.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.263 0.554 . . . . 25.0 110.587 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 tt -67.4 -37.01 82.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.425 0.631 . . . . 25.0 109.424 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.7 m -63.34 -43.44 97.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.481 . . . . 25.0 111.797 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.492 HG11 ' HB2' ' B' ' 72' ' ' GLN . 25.4 m -71.03 -23.94 23.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 120.549 -1.344 . . . . 25.0 112.108 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.422 0 CA-C-O 121.51 0.672 . . . . 25.0 111.021 174.942 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 110.048 -0.352 . . . . 25.0 110.048 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.5 -41.78 95.03 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.014 0.435 . . . . 25.0 110.552 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.538 HD12 HG11 ' A' ' 14' ' ' VAL . 4.0 tt -64.72 -42.66 95.09 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.961 0.886 . . . . 25.0 110.246 177.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.54 -34.94 79.02 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.436 -0.79 . . . . 25.0 112.109 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.4 p -75.57 -26.91 58.32 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.524 -0.47 . . . . 25.0 110.076 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.01 95.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 85.3 mmm -69.82 -33.97 73.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.39 -27.83 65.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.806 -0.758 . . . . 25.0 109.613 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 46.0 m -64.65 -43.41 93.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 25.0 110.323 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -36.42 78.18 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 99.1 mt -64.3 -46.44 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -60.07 -47.29 86.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.708 0.289 . . . . 25.0 111.479 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.87 -44.16 98.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.34 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.57 -48.01 83.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.448 0.642 . . . . 25.0 110.597 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -69.64 -19.7 63.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -173.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.68 95.56 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.655 0.264 . . . . 25.0 111.461 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -93.37 -18.09 22.79 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.513 0.197 . . . . 25.0 111.392 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.3 m -59.65 149.23 31.07 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.129 0 N-CA-C 115.474 0.95 . . . . 25.0 115.474 178.235 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.12 0.486 . . . . 25.0 110.93 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.53 131.11 25.5 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 173.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 1.8 m -66.23 150.22 49.14 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.632 -0.427 . . . . 25.0 111.333 -175.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -61.03 -41.66 96.99 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.857 0.688 . . . . 25.0 112.857 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -30.25 71.01 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.639 1.109 . . . . 25.0 111.177 178.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -79.33 -23.49 43.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.583 0.706 . . . . 25.0 109.563 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.469 HD11 ' HD1' ' B' ' 74' ' ' TYR . 17.3 tp -64.4 -33.25 75.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.431 ' HB2' HD11 ' B' ' 61' ' ' LEU . 32.3 ttpt -63.09 -36.66 84.34 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 116.29 -0.413 . . . . 25.0 110.281 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.55 -47.21 84.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.66 -46.0 92.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.95 -0.568 . . . . 25.0 110.192 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.34 -28.93 69.64 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 121.236 0.541 . . . . 25.0 111.548 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -81.99 -18.69 42.48 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 122.728 0.411 . . . . 25.0 110.187 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 39.4 m -96.98 -51.71 4.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -100.69 -23.0 14.73 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 114.299 1.222 . . . . 25.0 114.299 -173.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.434 HD13 HD22 ' A' ' 4' ' ' LEU . 11.9 tp -104.92 11.13 33.93 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 176.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -38.63 25.06 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 115.483 1.66 . . . . 25.0 115.483 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.68 -31.22 67.81 Favored Glycine 0 C--N 1.322 -0.195 0 O-C-N 121.447 -0.783 . . . . 25.0 112.366 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -74.96 -24.91 58.54 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.616 -0.883 . . . . 25.0 108.616 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.76 -40.05 34.43 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.215 -0.448 . . . . 25.0 111.242 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.94 -34.96 79.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.709 0.766 . . . . 25.0 110.349 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.54 27.99 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.458 -0.792 . . . . 25.0 110.59 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -61.21 150.03 35.75 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.971 -0.752 . . . . 25.0 108.971 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -133.24 -50.71 0.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.187 0.518 . . . . 25.0 110.052 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -81.14 83.86 6.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.27 -1.011 . . . . 25.0 108.27 175.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.9 m -64.2 -30.35 49.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 25.0 111.361 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.49 -32.17 71.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.352 0.596 . . . . 25.0 110.263 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.22 -39.5 23.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.249 -0.432 . . . . 25.0 111.263 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 p -69.52 -40.0 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 -175.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -77.17 -27.22 53.66 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.306 -0.406 . . . . 25.0 110.856 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -55.28 -44.71 75.91 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 110.107 -0.331 . . . . 25.0 110.107 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.0 t -71.66 -41.6 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.601 0.715 . . . . 25.0 109.565 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.1 mmt -68.99 -47.96 64.27 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 115.949 -0.569 . . . . 25.0 112.49 -175.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -36.58 82.13 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.829 -0.348 . . . . 25.0 110.226 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -62.82 -42.9 99.92 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.082 -0.647 . . . . 25.0 110.148 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.55 -21.17 52.97 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 119.769 -0.772 . . . . 25.0 110.271 -178.24 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.52 -27.37 69.1 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.066 0.46 . . . . 25.0 110.462 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -102.97 -25.39 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.409 0.623 . . . . 25.0 111.301 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -97.25 10.45 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.425 0.631 . . . . 25.0 112.196 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.77 -17.33 60.35 Favored Glycine 0 C--O 1.22 -0.746 0 N-CA-C 116.59 1.396 . . . . 25.0 116.59 -169.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -82.89 -7.86 59.62 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.495 0.664 . . . . 25.0 110.453 -172.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.92 -162.91 37.13 Favored Glycine 0 N--CA 1.42 -2.382 0 N-CA-C 106.388 -2.685 . . . . 25.0 106.388 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 3.8 pm0 -143.46 166.76 23.89 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.527 -0.836 . . . . 25.0 110.277 -175.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.04 167.56 25.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 175.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -120.31 -174.1 2.71 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 104.509 -2.404 . . . . 25.0 104.509 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -52.7 -47.58 67.17 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 113.194 0.813 . . . . 25.0 113.194 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.492 ' HB2' HG11 ' A' ' 83' ' ' VAL . 62.3 tt0 -55.53 -48.7 74.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.356 0.525 . . . . 25.0 111.044 -176.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -72.09 -41.54 67.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.722 0.772 . . . . 25.0 109.652 -173.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.469 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -58.86 -40.92 85.75 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.499 -0.773 . . . . 25.0 110.419 -179.444 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 79.0 t -71.18 -36.68 63.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 122.261 -0.275 . . . . 25.0 111.014 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.89 -44.2 93.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.195 0.521 . . . . 25.0 109.683 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.35 -35.71 73.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.084 0.469 . . . . 25.0 111.035 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.7 t -63.36 -42.91 98.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.24 -0.652 . . . . 25.0 109.24 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.58 85.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.944 -0.472 . . . . 25.0 110.724 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -39.4 94.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.496 0.665 . . . . 25.0 110.105 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.14 -32.57 69.13 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.916 -0.49 . . . . 25.0 110.025 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.5 m -65.05 -43.24 92.94 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.994 -0.441 . . . . 25.0 110.85 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.494 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.2 m -71.48 -19.34 20.54 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 O-C-N 121.362 -0.836 . . . . 25.0 111.67 178.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.965 0 CA-C-O 122.047 0.927 . . . . 25.0 112.422 170.083 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.236 0.394 0 N-CA-C 110.226 -0.287 . . . . 25.0 110.226 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.4 -43.42 98.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.803 0.335 . . . . 25.0 110.315 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.432 HD12 HG11 ' B' ' 14' ' ' VAL . 2.6 tt -63.72 -41.83 98.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.904 0.859 . . . . 25.0 110.444 177.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.32 -35.01 79.27 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.297 -0.877 . . . . 25.0 112.259 -175.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.2 p -76.42 -26.51 55.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.591 -0.444 . . . . 25.0 109.861 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.85 92.55 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 172.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.2 mmm -70.26 -32.86 70.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.731 1.012 . . . . 25.0 113.731 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -68.87 -27.66 66.01 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 119.806 -0.758 . . . . 25.0 109.345 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.5 m -64.23 -42.09 96.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.876 0.369 . . . . 25.0 110.155 172.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.83 -34.98 78.45 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -67.1 -47.62 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -58.37 -47.26 84.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 25.0 111.796 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -73.59 -34.28 41.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.559 -0.291 . . . . 25.0 111.45 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.02 -45.45 92.74 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.187 -0.945 . . . . 25.0 108.911 171.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -65.37 -19.06 65.78 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.583 -0.735 . . . . 25.0 112.908 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.39 76.33 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.45 -0.781 . . . . 25.0 111.241 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -95.36 -12.67 25.66 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.444 ' HA ' HD13 ' A' ' 28' ' ' LEU . 92.8 p . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 121.149 0.5 . . . . 25.0 112.25 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 C--O 1.232 0.138 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -133.73 153.75 51.47 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 114.829 -1.078 . . . . 25.0 111.212 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 19' ' ' SER . 10.3 tp -149.36 135.59 19.1 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.4 m -66.43 147.9 52.64 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.995 -0.441 . . . . 25.0 111.059 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -59.88 -48.77 80.35 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.895 1.072 . . . . 25.0 113.895 -174.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -32.45 66.02 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 176.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.19 -24.96 54.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.982 0.42 . . . . 25.0 111.025 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.06 -25.18 64.32 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.769 -0.582 . . . . 25.0 110.72 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HB2' HD11 ' A' ' 61' ' ' LEU . 33.1 ttpt -62.27 -32.57 73.3 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 120.288 -0.565 . . . . 25.0 109.824 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.09 -48.82 76.98 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.53 -46.16 91.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.82 -31.61 72.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.281 0.563 . . . . 25.0 111.57 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -81.9 -22.05 37.04 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.24 0.616 . . . . 25.0 112.08 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 m -100.34 -51.51 3.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -175.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -94.01 -26.92 16.59 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.441 HD13 HD22 ' B' ' 4' ' ' LEU . 15.3 tp -104.07 11.38 35.31 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.629 -1.249 . . . . 25.0 107.629 176.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -48.79 -40.93 30.83 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 116.078 1.881 . . . . 25.0 116.078 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.83 -37.12 75.2 Favored Glycine 0 C--O 1.229 -0.218 0 C-N-CA 120.401 -0.904 . . . . 25.0 110.927 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -69.12 -31.76 70.69 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.959 -0.73 . . . . 25.0 109.036 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.22 -40.96 74.23 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 123.355 0.41 . . . . 25.0 110.598 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.95 -35.54 80.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.669 0.747 . . . . 25.0 110.828 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.65 30.96 2.43 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.829 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -63.82 159.57 19.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.011 -0.54 . . . . 25.0 109.752 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -133.14 -53.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.484 0.659 . . . . 25.0 110.546 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -83.15 84.1 7.61 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.85 -25.1 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.943 -1.026 . . . . 25.0 112.407 -174.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.06 -43.98 70.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.34 0.591 . . . . 25.0 109.622 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.04 64.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.93 -175.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.58 -38.64 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -80.42 -30.47 37.69 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.264 -0.425 . . . . 25.0 111.152 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -35.47 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.967 -0.458 . . . . 25.0 110.243 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.5 t -72.64 -42.97 62.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -69.16 -47.83 63.92 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 116.176 -0.465 . . . . 25.0 111.951 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -36.0 82.4 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.45 -0.204 . . . . 25.0 110.45 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -61.39 -46.61 89.45 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.071 -0.652 . . . . 25.0 109.531 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -77.09 -21.45 54.3 Favored 'General case' 0 C--O 1.208 -1.108 0 C-N-CA 119.314 -0.954 . . . . 25.0 110.083 -175.286 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.43 -28.13 69.77 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.223 0.535 . . . . 25.0 110.593 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -102.24 -22.85 14.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.497 0.665 . . . . 25.0 110.627 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -95.26 18.04 13.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.39 23.99 2.7 Favored Glycine 0 C--O 1.218 -0.844 0 CA-C-N 115.721 -0.672 . . . . 25.0 113.5 -176.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.85 -10.72 11.65 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 120.734 0.302 . . . . 25.0 110.685 170.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.12 -155.66 31.89 Favored Glycine 0 N--CA 1.436 -1.356 0 CA-C-O 122.896 1.276 . . . . 25.0 111.53 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.3 pt-20 -153.88 162.76 40.96 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 113.747 -1.227 . . . . 25.0 110.039 -170.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 m -142.6 168.64 13.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 123.799 0.687 . . . . 25.0 111.021 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -119.67 -174.18 2.69 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.625 -1.62 . . . . 25.0 106.625 174.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -52.46 -47.47 66.44 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.793 1.035 . . . . 25.0 113.793 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.504 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.6 tt0 -55.76 -46.02 77.96 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.532 0.606 . . . . 25.0 110.911 -177.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.22 -39.65 68.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.997 0.903 . . . . 25.0 109.358 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -39.79 91.8 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.358 -0.837 . . . . 25.0 109.915 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.07 -36.14 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.416 -0.178 . . . . 25.0 110.594 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 72' ' ' GLN . 64.3 t -57.25 -45.25 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 176.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.03 -36.06 72.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.6 -178.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.6 -43.84 96.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.864 -0.421 . . . . 25.0 109.864 176.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.39 83.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.066 -0.396 . . . . 25.0 110.373 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.99 99.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.181 0.515 . . . . 25.0 110.631 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.45 -33.69 71.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.25 0.547 . . . . 25.0 109.944 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.7 m -64.23 -43.73 94.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.097 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.458 HG11 ' HB2' ' B' ' 72' ' ' GLN . 32.2 m -72.39 -19.0 19.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 O-C-N 121.68 -0.638 . . . . 25.0 112.341 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.689 0 CA-C-O 121.865 0.84 . . . . 25.0 111.192 170.467 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 107.978 -1.119 . . . . 25.0 107.978 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -61.18 -35.67 77.79 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.207 0.527 . . . . 25.0 110.733 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.441 HD22 HD13 ' A' ' 41' ' ' LEU . 5.4 tt -63.81 -42.32 97.71 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 121.75 0.786 . . . . 25.0 110.077 176.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -69.35 -35.85 76.3 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 121.707 -0.62 . . . . 25.0 111.467 -175.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.6 p -73.84 -25.34 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.573 -0.451 . . . . 25.0 110.03 175.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.67 92.49 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 173.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 92.6 mmm -70.7 -33.44 70.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.908 0.707 . . . . 25.0 112.908 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.57 -27.01 65.69 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.1 m -64.63 -43.21 94.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.433 -0.349 . . . . 25.0 110.348 173.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.24 -36.82 81.03 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.373 -0.603 . . . . 25.0 109.373 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.7 mt -65.88 -45.5 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -58.9 -45.0 91.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.91 0.386 . . . . 25.0 111.034 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.432 HG11 HD12 ' A' ' 4' ' ' LEU . 76.3 t -67.19 -43.73 88.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 25.0 111.29 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -59.86 -44.17 94.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.406 0.622 . . . . 25.0 109.507 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -68.09 -18.65 64.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.45 89.48 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.897 -0.502 . . . . 25.0 111.62 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -101.87 -16.58 16.52 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 -177.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.7 p -64.55 157.04 27.95 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.345 1.239 . . . . 25.0 114.345 -174.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.283 0 N-CA-C 117.498 1.759 . . . . 25.0 117.498 176.226 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -140.98 129.24 22.27 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 2.0 m -67.47 145.75 54.66 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.303 -0.248 . . . . 25.0 111.109 -177.061 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -59.26 -46.07 89.5 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.035 1.124 . . . . 25.0 114.035 -174.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -32.72 68.0 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.932 0.787 . . . . 25.0 112.373 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -77.89 -28.42 49.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.592 0.711 . . . . 25.0 110.008 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.421 HD22 HG21 ' B' ' 69' ' ' VAL . 17.5 tp -63.75 -34.5 78.02 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.002 -0.437 . . . . 25.0 110.026 176.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.565 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.9 ttpt -62.16 -34.7 76.91 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 120.387 -0.525 . . . . 25.0 110.669 179.238 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.97 -47.58 84.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.93 -46.06 92.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.785 -0.643 . . . . 25.0 109.665 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.43 -29.19 70.25 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 121.357 0.598 . . . . 25.0 111.801 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -81.87 -19.49 40.82 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.199 0.6 . . . . 25.0 110.822 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 45.0 m -99.6 -59.91 1.63 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.643 -0.708 . . . . 25.0 112.267 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -83.94 -27.19 28.69 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 -176.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.407 ' HG ' ' HB2' ' B' ' 44' ' ' PHE . 8.4 tp -106.36 13.61 28.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.621 0.724 . . . . 25.0 109.583 178.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.24 -39.98 57.84 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.566 1.691 . . . . 25.0 115.566 177.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.27 -34.83 63.97 Favored Glycine 0 C--O 1.224 -0.528 0 N-CA-C 110.956 -0.858 . . . . 25.0 110.956 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.407 ' HB2' ' HG ' ' B' ' 41' ' ' LEU . 7.9 m-30 -69.52 -31.03 69.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.91 -0.759 . . . . 25.0 109.04 175.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.87 -39.26 76.44 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.719 0.295 . . . . 25.0 110.503 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -67.96 -30.34 69.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.885 0.85 . . . . 25.0 110.41 176.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.3 29.03 2.99 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 115.58 -0.736 . . . . 25.0 109.304 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -67.07 150.67 48.88 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -138.28 -49.25 0.55 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -78.85 89.57 4.67 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 115.296 -0.865 . . . . 25.0 109.39 172.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.4 ' HA ' HG12 ' B' ' 54' ' ' VAL . 30.3 m -67.95 -24.09 29.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.937 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.14 -39.87 60.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.56 0.695 . . . . 25.0 109.578 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.65 -36.79 37.28 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.394 0.516 . . . . 25.0 112.394 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' B' ' 51' ' ' VAL . 8.7 p -65.29 -39.03 84.06 Favored 'Isoleucine or valine' 0 C--O 1.248 1.005 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -79.11 -24.46 43.4 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 121.911 0.863 . . . . 25.0 111.371 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -60.35 -27.33 67.3 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.571 -0.74 . . . . 25.0 111.15 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -85.52 -45.08 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.578 0.704 . . . . 25.0 109.617 176.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 8.6 mmt -66.8 -54.2 25.04 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.934 -0.575 . . . . 25.0 112.543 -173.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -35.33 79.94 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 121.159 -0.216 . . . . 25.0 110.584 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.21 -49.34 78.0 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.505 -0.478 . . . . 25.0 109.989 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -76.8 -20.38 56.47 Favored 'General case' 0 C--O 1.209 -1.036 0 C-N-CA 119.521 -0.871 . . . . 25.0 109.894 -175.135 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.55 -26.44 67.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 25.0 110.432 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -100.54 -26.59 13.79 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.555 0.693 . . . . 25.0 110.348 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -95.39 21.98 7.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 25.0 109.669 177.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.54 24.23 2.7 Favored Glycine 0 C--O 1.215 -1.073 0 CA-C-N 115.726 -0.67 . . . . 25.0 112.826 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -115.86 -7.78 12.0 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 122.586 -0.361 . . . . 25.0 111.287 170.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.82 -157.86 32.82 Favored Glycine 0 N--CA 1.435 -1.428 0 N-CA-C 109.619 -1.392 . . . . 25.0 109.619 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 12.3 pt-20 -151.96 164.61 36.8 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.127 -1.037 . . . . 25.0 110.363 -174.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.421 HG21 HD22 ' B' ' 33' ' ' LEU . 3.0 m -135.33 172.74 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.449 -0.796 . . . . 25.0 109.479 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -119.9 -174.07 2.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.127 -1.805 . . . . 25.0 106.127 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -54.79 -47.01 74.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.287 0.847 . . . . 25.0 113.287 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.458 ' HB2' HG11 ' A' ' 83' ' ' VAL . 64.9 tt0 -55.25 -48.09 74.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 118.186 0.448 . . . . 25.0 110.917 -177.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -68.48 -43.76 76.24 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 108.669 -0.863 . . . . 25.0 108.669 -173.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -41.04 82.61 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.275 -0.875 . . . . 25.0 110.571 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.2 t -71.78 -36.62 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 122.171 -0.331 . . . . 25.0 111.076 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.426 HG22 HG22 ' A' ' 76' ' ' VAL . 54.0 t -60.21 -43.97 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 109.638 -0.504 . . . . 25.0 109.638 177.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.2 mt -69.76 -36.62 75.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.094 0.473 . . . . 25.0 110.788 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.7 t -62.16 -44.72 99.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.164 -0.68 . . . . 25.0 109.164 175.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.87 88.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.018 -0.426 . . . . 25.0 110.679 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.55 98.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.5 0.667 . . . . 25.0 110.503 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.35 -33.27 72.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.312 0.577 . . . . 25.0 110.099 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 51.0 m -65.11 -45.1 86.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.295 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.8 m -71.38 -22.13 22.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 O-C-N 121.343 -0.848 . . . . 25.0 111.431 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.965 0 CA-C-O 121.472 0.653 . . . . 25.0 111.296 172.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 N--CA 1.467 0.425 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.23 -44.06 95.52 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.404 0.621 . . . . 25.0 110.831 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.446 HD22 HD13 ' B' ' 41' ' ' LEU . 3.8 tt -65.54 -41.77 92.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.907 0.86 . . . . 25.0 109.648 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.18 -34.79 76.94 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 121.348 -0.845 . . . . 25.0 111.598 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 p -71.3 -27.89 63.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 120.113 -0.635 . . . . 25.0 109.775 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.03 -46.77 82.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.3 mmm -71.81 -32.78 67.94 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.064 0.764 . . . . 25.0 113.064 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -69.8 -25.86 63.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.8 m -67.44 -42.91 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.081 -0.387 . . . . 25.0 110.615 171.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.44 -34.5 74.07 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.21 -48.7 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -57.63 -50.36 73.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.073 0.463 . . . . 25.0 110.436 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.72 -45.78 97.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.631 -0.713 . . . . 25.0 112.279 -177.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -61.2 -47.86 84.18 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.674 -0.641 . . . . 25.0 110.535 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -74.08 -13.87 60.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -174.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.61 -54.18 48.96 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 117.995 0.361 . . . . 25.0 111.481 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.306 13.9 p80 -126.91 30.05 5.54 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 177.164 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 p . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 113.852 -1.522 . . . . 25.0 108.426 162.138 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--O 1.236 0.358 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.15 159.37 37.03 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.959 -0.564 . . . . 25.0 110.525 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 33' ' ' LEU . 14.3 tp -147.87 134.66 20.04 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 172.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 8.6 m -66.6 146.59 54.33 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 -177.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -55.8 -50.36 70.69 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.441 0.904 . . . . 25.0 113.441 -176.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HD2' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -58.62 -30.07 66.99 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.349 0.522 . . . . 25.0 112.255 177.098 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.5 -26.24 38.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.363 0.601 . . . . 25.0 110.378 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 28' ' ' LEU . 14.4 tp -67.26 -33.59 75.64 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 121.594 -0.691 . . . . 25.0 109.325 176.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HB2' HD11 ' A' ' 61' ' ' LEU . 32.1 ttpt -56.48 -36.71 69.42 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 120.826 -0.35 . . . . 25.0 110.653 176.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.5 -48.09 81.1 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.36 -43.62 98.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.628 0.728 . . . . 25.0 110.446 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.3 mt -65.66 -31.11 71.95 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.71 -0.677 . . . . 25.0 112.388 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -81.83 -22.58 36.93 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 123.028 0.531 . . . . 25.0 109.807 -178.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.1 m -88.29 -51.62 5.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.796 -0.638 . . . . 25.0 111.333 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -90.37 -44.84 9.4 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.31 0.856 . . . . 25.0 113.31 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.449 HD13 HD22 ' B' ' 4' ' ' LEU . 10.5 tp -86.27 8.26 21.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.264 0.554 . . . . 25.0 110.406 -177.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.13 -36.73 8.81 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 115.574 1.694 . . . . 25.0 115.574 175.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.35 -36.77 63.16 Favored Glycine 0 C--O 1.223 -0.557 0 C-N-CA 120.525 -0.845 . . . . 25.0 111.711 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -72.88 -28.13 62.31 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.771 -0.826 . . . . 25.0 108.771 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.75 -40.59 84.08 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 177.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.36 -31.6 67.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.599 0.714 . . . . 25.0 111.392 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.58 20.99 4.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 -176.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.69 153.29 28.6 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.265 -0.425 . . . . 25.0 109.931 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -133.73 -46.42 0.8 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.368 -0.975 . . . . 25.0 108.368 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -83.56 87.82 7.02 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.072 -1.084 . . . . 25.0 108.072 174.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.33 -28.24 44.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.555 -0.748 . . . . 25.0 110.148 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.8 -41.14 79.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.99 -37.99 33.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.024 -0.534 . . . . 25.0 112.145 -175.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.4 -39.23 84.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.328 -0.989 . . . . 25.0 108.328 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -80.42 -30.0 37.67 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.019 -0.537 . . . . 25.0 110.029 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -58.06 -42.75 86.13 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 120.522 -0.471 . . . . 25.0 109.965 176.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.7 t -69.01 -40.69 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 108.561 -0.903 . . . . 25.0 108.561 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mmt -67.66 -52.22 40.59 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.584 -0.734 . . . . 25.0 111.751 -177.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -38.97 93.1 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 121.04 -0.264 . . . . 25.0 110.571 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -60.41 -42.23 95.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.104 -0.332 . . . . 25.0 110.104 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.96 -24.35 43.96 Favored 'General case' 0 C--O 1.206 -1.221 0 C-N-CA 118.858 -1.137 . . . . 25.0 110.455 -178.452 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.75 -26.6 66.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.167 0.508 . . . . 25.0 110.53 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -93.09 -24.18 18.38 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 122.017 0.913 . . . . 25.0 108.71 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -95.14 17.7 13.64 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.64 32.52 2.13 Favored Glycine 0 C--O 1.216 -1.004 0 CA-C-N 115.873 -0.603 . . . . 25.0 113.506 -173.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -115.81 -29.87 6.27 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.356 -0.422 . . . . 25.0 110.225 174.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.51 -151.33 13.19 Favored Glycine 0 N--CA 1.441 -1.025 0 CA-C-O 122.755 1.197 . . . . 25.0 111.828 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 15.3 pt-20 -151.18 165.23 34.56 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.843 -1.178 . . . . 25.0 110.252 -169.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.46 HG21 HD22 ' A' ' 33' ' ' LEU . 5.4 m -135.89 175.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.25 -0.886 . . . . 25.0 110.027 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -127.91 -174.28 3.16 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.315 -2.106 . . . . 25.0 105.315 174.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -52.11 -49.19 64.13 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.493 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.4 tt0 -55.59 -44.92 77.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.655 0.661 . . . . 25.0 111.156 -176.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -42.21 70.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.11 0.957 . . . . 25.0 109.947 -176.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -38.35 82.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.249 -0.887 . . . . 25.0 110.179 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.8 t -71.83 -35.83 56.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.613 0.244 . . . . 25.0 110.678 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 72' ' ' GLN . 79.0 t -58.69 -45.73 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 177.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.39 -37.8 77.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.17 0.51 . . . . 25.0 111.022 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.5 t -61.54 -45.58 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.77 88.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.1 -0.375 . . . . 25.0 110.624 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.34 99.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.262 0.553 . . . . 25.0 110.745 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 tt -69.35 -38.08 77.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.69 0.757 . . . . 25.0 110.064 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.8 m -58.49 -44.33 89.36 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.962 -0.563 . . . . 25.0 111.294 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.7 m -73.09 -25.64 21.99 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 122.268 1.032 . . . . 25.0 109.676 174.418 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 110.913 -0.032 . . . . 25.0 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -61.42 -45.02 96.08 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.345 0.593 . . . . 25.0 110.589 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.449 HD22 HD13 ' A' ' 41' ' ' LEU . 3.6 tt -65.64 -40.28 92.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.195 0.997 . . . . 25.0 109.807 178.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -69.05 -35.67 76.82 Favored 'General case' 0 C--N 1.314 -0.95 0 O-C-N 121.536 -0.727 . . . . 25.0 111.957 -175.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -73.06 -29.73 63.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.3 86.7 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 173.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.8 mmm -73.27 -31.03 63.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -71.7 -24.95 61.9 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.1 m -66.23 -43.29 87.07 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.165 -0.334 . . . . 25.0 110.157 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.82 -33.68 73.39 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.052 -0.722 . . . . 25.0 109.052 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 69.7 mt -66.24 -47.28 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -58.39 -50.13 74.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.383 0.611 . . . . 25.0 110.319 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.06 -43.49 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.444 -0.798 . . . . 25.0 112.03 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -59.36 -47.35 85.75 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.676 -0.64 . . . . 25.0 109.733 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -73.85 -14.23 61.05 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.016 1.117 . . . . 25.0 114.016 -174.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.31 93.98 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 174.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -99.39 -17.1 18.16 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.413 0.894 . . . . 25.0 113.413 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.5 p -63.5 164.84 8.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.029 0.752 . . . . 25.0 113.029 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.304 0 N-CA-C 114.814 0.686 . . . . 25.0 114.814 177.493 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.251 0.548 . . . . 25.0 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -148.86 135.37 19.53 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.817 -1.549 . . . . 25.0 106.817 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.456 ' HB2' ' HD3' ' B' ' 31' ' ' LYS . 0.2 OUTLIER -65.94 150.79 48.08 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 178.239 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -62.73 -39.3 93.66 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.456 ' HD3' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -67.1 -29.39 69.12 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.95 1.25 . . . . 25.0 109.325 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -79.93 -24.57 40.97 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.307 -0.86 . . . . 25.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.455 HD22 HG21 ' B' ' 69' ' ' VAL . 25.9 tp -66.43 -35.63 80.77 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 121.263 0.554 . . . . 25.0 109.645 175.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.518 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.7 ttpt -60.72 -32.58 71.83 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.496 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -62.17 -47.37 84.83 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.67 -46.78 88.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.653 0.74 . . . . 25.0 109.158 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mp -63.73 -31.8 73.09 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 115.734 -0.666 . . . . 25.0 111.369 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -81.05 -22.7 39.1 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.976 -0.452 . . . . 25.0 111.054 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 62.6 m -88.68 -51.6 5.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.774 -0.648 . . . . 25.0 111.548 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -95.57 -44.14 7.63 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.446 HD13 HD22 ' A' ' 4' ' ' LEU . 9.7 tp -84.64 9.83 12.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.727 0.775 . . . . 25.0 109.943 -178.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.5 -34.91 26.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 115.125 1.528 . . . . 25.0 115.125 175.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.9 63.46 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.269 -0.967 . . . . 25.0 111.222 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -70.8 -25.53 62.91 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.04 -0.683 . . . . 25.0 109.357 176.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.2 mt -76.86 -39.62 50.51 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 117.059 -0.064 . . . . 25.0 111.045 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.66 -36.58 80.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.722 0.772 . . . . 25.0 110.601 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.96 29.76 5.24 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.748 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -62.57 159.8 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.101 -0.5 . . . . 25.0 110.013 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -135.4 -52.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.519 -0.31 . . . . 25.0 110.956 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -79.06 91.16 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.807 -0.812 . . . . 25.0 108.807 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.8 -26.8 37.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.169 -0.469 . . . . 25.0 111.381 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.05 -42.82 56.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.5 -0.556 . . . . 25.0 109.5 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.42 55.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 -176.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.48 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.406 -0.961 . . . . 25.0 108.406 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -80.53 -27.34 37.64 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.393 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -38.19 68.15 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 176.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.1 t -74.46 -43.4 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.316 0.579 . . . . 25.0 109.674 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.7 mmt -70.27 -50.5 38.91 Favored 'General case' 0 CA--C 1.496 -1.121 0 N-CA-C 112.826 0.676 . . . . 25.0 112.826 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -35.89 81.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.102 -0.333 . . . . 25.0 110.102 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.25 -47.42 86.13 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.298 -0.561 . . . . 25.0 109.593 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.12 -21.69 53.81 Favored 'General case' 0 C--O 1.204 -1.342 0 C-N-CA 119.316 -0.953 . . . . 25.0 110.342 -175.649 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.75 -28.08 68.44 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.984 0.421 . . . . 25.0 111.16 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -108.06 -15.55 14.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.313 0.578 . . . . 25.0 111.616 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -102.64 13.68 33.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.483 0.659 . . . . 25.0 109.335 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.08 -18.65 60.49 Favored Glycine 0 C--O 1.221 -0.686 0 N-CA-C 115.587 0.995 . . . . 25.0 115.587 -169.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.98 5.34 51.42 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.776 0.798 . . . . 25.0 111.328 -171.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.49 -160.39 36.29 Favored Glycine 0 N--CA 1.416 -2.669 1 N-CA-C 102.803 -4.119 . . . . 25.0 102.803 171.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.73 161.24 42.61 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 122.3 -0.529 . . . . 25.0 109.88 -175.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.455 HG21 HD22 ' B' ' 33' ' ' LEU . 5.2 m -135.56 165.62 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 114.47 -1.241 . . . . 25.0 109.543 -178.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -118.67 -174.26 2.65 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 105.93 -1.878 . . . . 25.0 105.93 175.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -52.43 -47.22 66.51 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.446 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.6 tt0 -54.22 -47.57 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.177 0.444 . . . . 25.0 111.395 -177.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -44.65 65.56 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.998 0.904 . . . . 25.0 109.602 -175.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.454 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -56.27 -39.68 73.01 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.964 -1.016 . . . . 25.0 110.376 -178.348 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.7 t -72.18 -36.87 57.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 122.426 -0.172 . . . . 25.0 110.891 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.424 HG22 HG22 ' A' ' 76' ' ' VAL . 55.9 t -60.85 -44.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.317 0.58 . . . . 25.0 109.839 177.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.6 mt -69.57 -37.39 76.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.175 0.512 . . . . 25.0 110.356 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 t -63.12 -42.66 97.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.968 -0.56 . . . . 25.0 109.597 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.34 85.26 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.988 -0.445 . . . . 25.0 110.671 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.88 98.22 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.174 0.511 . . . . 25.0 110.363 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.52 -35.61 75.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.516 0.674 . . . . 25.0 109.852 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 63.0 m -62.1 -42.9 99.68 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.05 -0.406 . . . . 25.0 111.39 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.5 m -72.88 -23.86 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 121.292 -0.88 . . . . 25.0 112.053 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 122.605 1.193 . . . . 25.0 109.121 172.483 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 110.538 -0.171 . . . . 25.0 110.538 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -62.42 -46.41 88.68 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.419 0.628 . . . . 25.0 110.652 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.58 -40.05 94.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.96 0.886 . . . . 25.0 109.661 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -69.64 -35.29 75.08 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.831 -0.543 . . . . 25.0 112.305 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -73.84 -29.66 62.25 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.36 93.98 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 108.015 -1.106 . . . . 25.0 108.015 173.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.2 mmm -72.22 -32.65 66.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.739 1.014 . . . . 25.0 113.739 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.37 -23.8 61.97 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.844 -0.798 . . . . 25.0 108.844 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.2 m -65.57 -42.8 91.36 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.456 -0.338 . . . . 25.0 110.567 171.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.96 -35.01 74.06 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.06 -43.51 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.42 -45.22 94.4 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.547 0.689 . . . . 25.0 110.757 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG11 HD12 ' B' ' 4' ' ' LEU . 76.5 t -64.59 -44.57 96.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.537 -0.756 . . . . 25.0 111.14 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.01 -43.42 98.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.642 -0.661 . . . . 25.0 110.16 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -61.02 -25.3 66.81 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.496 0.718 . . . . 25.0 112.164 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.55 99.48 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.814 -0.554 . . . . 25.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -103.15 -18.07 15.09 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 113.86 1.059 . . . . 25.0 113.86 -174.727 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 110.356 -0.239 . . . . 25.0 110.356 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -125.74 145.06 50.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.391 0.615 . . . . 25.0 112.634 -177.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.19 129.56 17.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.612 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.2 m -63.58 144.66 56.82 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -61.03 -47.4 86.56 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.599 0.963 . . . . 25.0 113.599 -173.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -31.43 67.08 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 120.88 0.371 . . . . 25.0 111.821 178.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -76.3 -29.81 57.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.446 0.641 . . . . 25.0 109.388 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.515 HD11 ' HD1' ' A' ' 74' ' ' TYR . 27.5 tp -68.22 -27.14 66.12 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 121.889 -0.507 . . . . 25.0 111.694 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.555 ' HB2' HD11 ' A' ' 61' ' ' LEU . 31.9 ttpt -62.1 -30.59 71.12 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.012 -0.675 . . . . 25.0 110.36 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -66.97 -47.37 71.78 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.36 -44.08 95.93 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.946 -0.57 . . . . 25.0 109.606 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.0 mt -63.54 -28.71 70.13 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 121.084 0.469 . . . . 25.0 111.519 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -81.7 -22.49 37.38 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 122.009 -0.432 . . . . 25.0 111.604 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.2 m -97.19 -52.79 3.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.676 -0.693 . . . . 25.0 112.843 -174.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -89.09 -31.33 18.08 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 121.096 0.474 . . . . 25.0 112.074 -177.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 41' ' ' LEU . 7.2 tp -100.57 11.89 38.51 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.623 0.725 . . . . 25.0 109.811 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -42.09 24.83 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 116.128 1.899 . . . . 25.0 116.128 175.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.39 -30.08 61.0 Favored Glycine 0 C--O 1.226 -0.367 0 N-CA-C 110.944 -0.862 . . . . 25.0 110.944 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -71.46 -31.6 67.35 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 174.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.5 -40.42 77.0 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.62 -34.41 78.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.568 0.699 . . . . 25.0 111.348 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.99 28.71 4.22 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 116.026 -0.534 . . . . 25.0 110.124 -177.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.57 154.26 36.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -129.25 -50.41 1.19 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.428 0.633 . . . . 25.0 109.668 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -83.57 80.84 8.98 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.681 -1.229 . . . . 25.0 107.681 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.34 -23.75 33.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 114.985 -1.007 . . . . 25.0 112.422 -175.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.68 -40.81 61.18 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.387 -0.525 . . . . 25.0 110.039 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.45 -35.91 53.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.843 -0.535 . . . . 25.0 112.133 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -61.64 -37.4 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.007 -1.108 . . . . 25.0 108.007 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.83 -32.2 63.58 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 114.273 -1.331 . . . . 25.0 111.17 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -32.1 72.32 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.407 -0.517 . . . . 25.0 111.866 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -70.67 -42.46 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 107.699 -1.222 . . . . 25.0 107.699 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 mmt -66.46 -48.0 71.32 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 115.071 -0.968 . . . . 25.0 112.444 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -38.07 88.33 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.69 -179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -60.87 -45.79 93.16 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.68 -23.27 45.73 Favored 'General case' 0 C--O 1.201 -1.476 0 C-N-CA 118.65 -1.22 . . . . 25.0 109.25 -172.538 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.65 -21.65 65.36 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.938 -0.476 . . . . 25.0 112.085 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.29 -25.11 14.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.457 0.646 . . . . 25.0 110.48 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -96.97 13.29 29.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.037 0.923 . . . . 25.0 109.577 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.87 35.93 2.7 Favored Glycine 0 CA--C 1.496 -1.101 0 CA-C-N 115.048 -0.978 . . . . 25.0 113.432 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -115.44 -26.91 7.36 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 172.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.59 -156.66 32.72 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 108.853 -1.699 . . . . 25.0 108.853 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 7.8 mp0 -141.54 158.62 43.61 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 113.66 -1.27 . . . . 25.0 110.243 -173.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.01 172.9 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 114.673 -1.149 . . . . 25.0 109.286 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -116.03 -174.53 2.56 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.401 -1.333 . . . . 25.0 107.401 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -53.97 -46.53 71.68 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 113.045 0.757 . . . . 25.0 113.045 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.497 ' O ' HG23 ' A' ' 76' ' ' VAL . 64.8 tt0 -55.44 -45.6 76.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 118.382 0.537 . . . . 25.0 111.058 -177.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -74.25 -37.69 63.7 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.969 0.89 . . . . 25.0 110.059 -174.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.515 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -59.58 -39.19 83.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.455 -0.793 . . . . 25.0 109.032 178.325 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 76.4 t -72.9 -36.54 52.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 122.439 -0.163 . . . . 25.0 110.805 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 72' ' ' GLN . 68.2 t -57.36 -46.74 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 176.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.8 -37.64 79.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.066 0.46 . . . . 25.0 111.184 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 t -63.41 -44.91 99.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.788 -0.449 . . . . 25.0 109.788 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.25 84.19 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.91 -0.494 . . . . 25.0 110.177 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.88 95.08 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.075 0.464 . . . . 25.0 110.639 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.91 -36.11 75.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.133 0.492 . . . . 25.0 109.741 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.2 m -63.98 -43.4 95.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.361 -0.382 . . . . 25.0 111.763 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.598 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.3 m -67.01 -23.68 31.19 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 O-C-N 121.48 -0.762 . . . . 25.0 112.715 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.841 0 CA-C-O 121.492 0.663 . . . . 25.0 111.976 171.845 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -59.84 -44.76 93.91 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.28 0.562 . . . . 25.0 111.246 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.408 HD12 HG11 ' A' ' 14' ' ' VAL . 2.2 tt -65.9 -39.57 90.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.832 0.825 . . . . 25.0 110.141 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.63 -38.45 89.43 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.495 -0.753 . . . . 25.0 111.223 -177.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.8 p -72.54 -27.89 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.165 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.8 80.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 174.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.6 mmm -71.58 -31.82 67.38 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.08 -28.47 67.39 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.9 m -65.86 -43.19 89.13 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 122.116 -0.365 . . . . 25.0 110.327 172.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.02 -36.02 80.31 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.9 mt -66.55 -47.7 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -57.6 -50.94 71.5 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.253 0.549 . . . . 25.0 111.262 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.76 -34.02 58.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-N 115.841 -0.618 . . . . 25.0 112.141 -175.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.26 -45.66 92.32 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.224 -0.922 . . . . 25.0 109.074 171.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -67.59 -16.54 64.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.484 -0.78 . . . . 25.0 112.652 -176.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.85 -42.67 73.24 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.623 -0.673 . . . . 25.0 110.757 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -95.8 -12.37 25.41 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.449 ' HA ' ' HG ' ' B' ' 28' ' ' LEU . 82.3 p -64.39 160.22 19.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.649 0.738 . . . . 25.0 111.684 -177.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.662 0 C-N-CA 120.583 -0.817 . . . . 25.0 114.577 178.679 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm . . . . . 0 CA--C 1.515 -0.372 0 CA-C-O 121.172 0.51 . . . . 25.0 110.632 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.449 ' HG ' ' HA ' ' B' ' 19' ' ' SER . 0.0 OUTLIER -142.21 136.02 29.49 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 106.113 -1.81 . . . . 25.0 106.113 178.41 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.55 150.93 45.6 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -63.68 -42.29 98.06 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 113.937 1.088 . . . . 25.0 113.937 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -29.92 71.0 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.038 -1.039 . . . . 25.0 109.678 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -80.56 -24.08 39.49 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.551 -0.749 . . . . 25.0 110.365 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.477 HD11 ' HD1' ' B' ' 74' ' ' TYR . 17.0 tp -66.25 -36.6 83.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.703 -0.623 . . . . 25.0 109.633 175.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.526 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.2 ttpt -61.2 -32.76 72.53 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.288 -0.415 . . . . 25.0 110.394 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -62.58 -47.65 82.88 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.15 -46.48 88.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.665 0.745 . . . . 25.0 109.343 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mp -64.17 -32.33 73.87 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.698 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -81.9 -22.32 36.9 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.828 -0.545 . . . . 25.0 110.834 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 66.4 m -86.75 -50.54 6.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.852 -0.613 . . . . 25.0 111.323 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.87 -45.08 6.44 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.609 0.966 . . . . 25.0 113.609 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.0 tp -83.75 9.32 12.11 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.643 0.735 . . . . 25.0 109.743 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -37.0 43.4 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 114.946 1.462 . . . . 25.0 114.946 175.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.02 -37.17 73.46 Favored Glycine 0 C--O 1.229 -0.194 0 C-N-CA 120.33 -0.938 . . . . 25.0 110.818 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -71.01 -30.0 66.11 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.883 -0.775 . . . . 25.0 109.308 176.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.99 -41.16 78.22 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.844 -0.428 . . . . 25.0 109.844 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -67.39 -32.94 74.18 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.468 0.652 . . . . 25.0 111.559 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.68 29.39 4.52 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 116.06 -0.518 . . . . 25.0 110.502 -176.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -64.86 153.6 39.71 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -124.95 -53.21 1.65 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 175.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -81.05 84.25 6.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.686 0.755 . . . . 25.0 109.373 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.9 m -62.51 -23.78 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.11 -0.95 . . . . 25.0 112.614 -175.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -75.56 -39.08 58.68 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.884 -0.51 . . . . 25.0 110.28 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.76 -38.53 58.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.774 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -63.22 -37.61 79.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 122.061 0.934 . . . . 25.0 108.621 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -76.02 -30.47 58.5 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.797 -1.092 . . . . 25.0 111.327 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -36.0 81.17 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.547 -0.461 . . . . 25.0 111.594 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.02 -43.03 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 122.195 0.998 . . . . 25.0 108.765 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.5 mmt -68.54 -49.59 58.36 Favored 'General case' 0 CA--C 1.493 -1.238 0 CA-C-N 115.122 -0.945 . . . . 25.0 112.766 -175.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -35.08 79.59 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 123.101 0.251 . . . . 25.0 110.341 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.19 -48.42 81.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.915 -0.772 . . . . 25.0 108.915 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.3 OUTLIER -79.69 -19.55 48.68 Favored 'General case' 0 C--O 1.21 -1.001 0 C-N-CA 119.354 -0.938 . . . . 25.0 111.357 -174.252 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -60.29 -28.93 68.49 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.082 0.468 . . . . 25.0 111.102 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -108.19 -22.07 12.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.333 0.587 . . . . 25.0 111.804 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -96.93 14.04 26.8 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.614 0.721 . . . . 25.0 110.29 178.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.17 -21.85 59.97 Favored Glycine 0 C--O 1.22 -0.762 0 N-CA-C 115.412 0.925 . . . . 25.0 115.412 -171.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.65 4.65 50.8 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.831 0.824 . . . . 25.0 110.617 -172.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.28 -157.53 33.53 Favored Glycine 0 N--CA 1.418 -2.554 0 N-CA-C 104.259 -3.536 . . . . 25.0 104.259 172.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -152.36 168.25 26.06 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 122.23 -0.571 . . . . 25.0 109.513 -174.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.66 167.16 18.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.135 -0.938 . . . . 25.0 109.124 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -119.64 -174.33 2.72 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 105.595 -2.002 . . . . 25.0 105.595 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -52.79 -47.74 67.37 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.598 ' HB2' HG11 ' A' ' 83' ' ' VAL . 62.1 tt0 -53.94 -47.5 71.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.392 0.542 . . . . 25.0 110.99 -177.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -71.89 -44.5 63.64 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 121.834 0.826 . . . . 25.0 109.057 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.477 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -55.67 -40.39 72.22 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.129 -0.941 . . . . 25.0 110.188 -178.573 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -72.75 -38.11 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 122.28 -0.263 . . . . 25.0 111.194 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 76' ' ' VAL . 53.6 t -59.73 -43.32 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.155 0.502 . . . . 25.0 109.699 177.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.84 -35.91 75.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.091 0.472 . . . . 25.0 110.831 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.3 t -64.56 -43.04 96.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 175.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.61 79.88 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.904 -0.498 . . . . 25.0 111.098 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.66 98.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.367 0.603 . . . . 25.0 110.207 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.17 -35.64 76.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.207 0.527 . . . . 25.0 109.81 177.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.2 m -63.86 -43.79 95.04 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.873 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.487 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.6 m -70.45 -23.83 24.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 O-C-N 121.548 -0.72 . . . . 25.0 111.992 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.765 0 CA-C-O 121.598 0.713 . . . . 25.0 111.836 172.816 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 108.852 -0.795 . . . . 25.0 108.852 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.5 -40.27 93.97 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.443 0.639 . . . . 25.0 112.262 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.44 HD12 HG11 ' B' ' 14' ' ' VAL . 4.5 tt -66.69 -39.37 88.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 122.244 1.021 . . . . 25.0 108.818 177.025 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -70.08 -35.66 74.35 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 121.615 -0.678 . . . . 25.0 111.905 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.9 p -72.25 -31.26 65.64 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 176.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.86 83.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 174.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.8 mmm -71.71 -31.71 67.02 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.66 -27.54 65.12 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.586 -0.696 . . . . 25.0 109.208 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.6 m -62.89 -44.2 96.75 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.878 0.371 . . . . 25.0 110.002 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.37 -37.07 84.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.29 -47.74 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.6 -50.17 74.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.183 0.516 . . . . 25.0 111.526 -176.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.02 -34.87 66.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 115.867 -0.606 . . . . 25.0 111.763 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -62.1 -43.78 98.1 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.203 -0.935 . . . . 25.0 109.538 172.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -67.89 -14.45 62.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.73 82.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 120.811 -0.355 . . . . 25.0 110.779 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -96.24 -15.2 22.14 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.942 0.401 . . . . 25.0 111.88 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 121.474 0.654 . . . . 25.0 111.302 -176.978 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 CA--C 1.521 -0.154 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -127.74 156.76 41.92 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.76 -0.655 . . . . 25.0 110.306 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.47 136.62 29.61 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 105.86 -1.904 . . . . 25.0 105.86 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.15 149.63 49.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.316 0.507 . . . . 25.0 110.18 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.89 -44.16 90.53 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.409 0.522 . . . . 25.0 112.409 -176.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -30.23 71.1 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.83 0.741 . . . . 25.0 110.459 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -76.85 -29.51 55.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.433 -0.803 . . . . 25.0 109.442 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.513 HD11 ' HD1' ' A' ' 74' ' ' TYR . 28.4 tp -68.58 -28.94 67.39 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.68 -0.637 . . . . 25.0 110.839 176.124 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.612 ' HB2' HD11 ' A' ' 61' ' ' LEU . 29.0 ttpt -59.17 -33.67 71.2 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.07 -0.652 . . . . 25.0 110.224 177.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.64 -48.99 72.81 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 177.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.46 -43.46 93.21 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 121.338 0.59 . . . . 25.0 109.605 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.61 -32.73 74.29 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 121.179 0.514 . . . . 25.0 111.811 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -81.69 -22.43 37.45 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.845 -0.534 . . . . 25.0 111.778 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.0 m -101.55 -51.08 3.55 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -174.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -88.29 -38.01 15.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.952 0.406 . . . . 25.0 111.022 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.505 HD13 HD22 ' B' ' 4' ' ' LEU . 14.7 tp -93.01 8.66 38.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.428 -0.953 . . . . 25.0 108.428 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -45.92 -41.15 11.13 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 115.62 1.711 . . . . 25.0 115.62 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.16 -27.83 73.58 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.025 -1.083 . . . . 25.0 112.344 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -75.83 -28.09 58.12 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.599 -0.942 . . . . 25.0 109.409 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.53 -37.03 63.17 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 118.398 0.545 . . . . 25.0 110.163 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.25 -32.02 73.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.789 0.804 . . . . 25.0 109.97 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.1 28.06 8.41 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.45 -0.795 . . . . 25.0 111.433 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -61.89 152.82 30.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -125.76 -48.22 1.65 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -83.82 90.09 7.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.258 0.552 . . . . 25.0 109.893 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.22 -25.76 36.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.725 -176.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -76.63 -45.14 31.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.049 -0.722 . . . . 25.0 109.049 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.61 -38.26 67.85 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.14 -40.89 89.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -80.22 -30.72 38.62 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.5 -175.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.78 -35.6 68.88 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.304 -0.407 . . . . 25.0 110.631 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.5 t -77.1 -41.89 31.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.488 0.661 . . . . 25.0 109.398 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 mmt -68.06 -51.75 43.08 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 112.577 0.584 . . . . 25.0 112.577 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -34.3 77.76 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.882 -0.327 . . . . 25.0 110.32 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.16 -43.77 97.35 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.928 -0.483 . . . . 25.0 110.278 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -78.28 -23.25 47.29 Favored 'General case' 0 C--O 1.21 -1.012 0 C-N-CA 119.139 -1.024 . . . . 25.0 110.835 -178.465 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.52 -28.14 63.22 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.408 0.522 . . . . 25.0 112.408 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -107.4 -20.56 13.23 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.514 0.673 . . . . 25.0 111.718 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -97.56 13.67 29.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.57 0.7 . . . . 25.0 109.682 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.93 -12.11 70.74 Favored Glycine 0 C--O 1.216 -0.974 0 N-CA-C 117.614 1.806 . . . . 25.0 117.614 -167.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -91.12 6.9 43.12 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 122.003 0.906 . . . . 25.0 111.068 -170.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.61 -159.67 33.83 Favored Glycine 0 N--CA 1.416 -2.634 0 N-CA-C 103.725 -3.75 . . . . 25.0 103.725 174.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -148.86 165.13 32.42 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 122.312 -0.522 . . . . 25.0 110.168 -174.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.91 168.94 17.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.571 -0.74 . . . . 25.0 109.638 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -117.0 -174.1 2.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.937 -1.505 . . . . 25.0 106.937 177.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -53.11 -47.71 68.42 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.472 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.7 tt0 -54.21 -46.11 72.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.36 0.527 . . . . 25.0 110.77 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -77.67 -35.32 52.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.906 0.86 . . . . 25.0 110.746 -173.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.513 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -60.59 -39.63 88.79 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.798 -0.816 . . . . 25.0 108.798 177.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 71.7 t -71.49 -36.17 59.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.686 -0.234 . . . . 25.0 110.522 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 72' ' ' GLN . 57.8 t -57.44 -45.38 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 109.13 -0.692 . . . . 25.0 109.13 177.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.0 mt -69.79 -38.51 76.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.86 0.362 . . . . 25.0 111.638 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.9 t -63.48 -43.84 98.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 177.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.94 77.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.774 -0.579 . . . . 25.0 111.056 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.15 90.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.281 0.562 . . . . 25.0 110.115 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.16 -34.42 68.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.344 0.592 . . . . 25.0 110.169 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.8 m -64.42 -41.0 96.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.462 -0.336 . . . . 25.0 111.5 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.574 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.9 m -69.12 -23.96 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.04 -1.038 . . . . 25.0 112.425 178.054 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.892 0 CA-C-O 121.621 0.724 . . . . 25.0 111.119 171.603 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--O 1.235 0.306 0 N-CA-C 107.014 -1.476 . . . . 25.0 107.014 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -60.39 -30.23 69.45 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 110.289 -0.263 . . . . 25.0 110.289 173.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.505 HD22 HD13 ' A' ' 41' ' ' LEU . 3.3 tt -66.68 -41.92 87.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.394 0.616 . . . . 25.0 109.77 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -66.23 -39.22 89.4 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.709 -0.396 . . . . 25.0 111.294 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.1 p -76.14 -29.1 57.68 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 110.125 -0.324 . . . . 25.0 110.125 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.96 90.21 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 173.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.4 mmm -70.51 -32.42 69.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.34 0.496 . . . . 25.0 112.34 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -29.89 69.02 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.697 -0.483 . . . . 25.0 109.697 178.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -62.93 -43.46 98.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.573 -0.528 . . . . 25.0 109.573 174.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.7 -38.7 88.82 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -64.19 -48.34 86.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 C-N-CA 120.313 -0.555 . . . . 25.0 109.826 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -57.89 -41.76 83.24 Favored 'General case' 0 CA--C 1.448 -2.956 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.44 HG11 HD12 ' A' ' 4' ' ' LEU . 58.5 t -68.31 -43.76 84.21 Favored 'Isoleucine or valine' 0 C--N 1.389 2.304 0 O-C-N 120.885 -1.135 . . . . 25.0 110.461 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -62.46 -43.05 99.76 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 122.04 0.924 . . . . 25.0 109.915 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -64.54 -22.67 67.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.11 -0.95 . . . . 25.0 112.436 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.56 -40.45 95.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.645 -0.422 . . . . 25.0 111.989 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -90.29 -23.48 21.17 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.159 -0.311 . . . . 25.0 110.159 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.6 m -56.8 137.25 55.02 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.106 -0.702 . . . . 25.0 109.106 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.194 0 C-N-CA 120.469 -0.872 . . . . 25.0 113.98 -176.287 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm . . . . . 0 CA--C 1.505 -0.758 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.15 139.92 24.98 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.901 -0.778 . . . . 25.0 108.901 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.445 ' HB2' ' HD3' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -67.37 157.05 34.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.04 0.448 . . . . 25.0 111.895 178.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -66.34 -41.27 89.82 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.445 ' HD3' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -66.75 -29.5 69.49 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.224 0.92 . . . . 25.0 109.389 -176.706 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.98 -32.21 65.04 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.506 -1.225 . . . . 25.0 110.479 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 14.1 tp -64.66 -29.07 70.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 25.0 110.766 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.563 ' HB2' HD11 ' B' ' 61' ' ' LEU . 32.7 ttpt -64.22 -36.31 83.65 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.013 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.66 -45.38 83.17 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.42 -46.85 87.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.303 0.573 . . . . 25.0 110.212 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mp -65.53 -29.3 69.92 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 121.184 0.516 . . . . 25.0 111.359 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -81.8 -22.29 37.2 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 121.908 -0.495 . . . . 25.0 110.476 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 57.9 m -88.46 -50.54 6.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.712 -0.676 . . . . 25.0 111.472 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -93.66 -44.88 7.96 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.421 HD13 HD22 ' A' ' 4' ' ' LEU . 9.6 tp -84.83 9.08 15.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.561 0.696 . . . . 25.0 110.173 -177.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -36.56 15.21 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 115.342 1.608 . . . . 25.0 115.342 175.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.34 -35.41 60.14 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 120.424 -0.893 . . . . 25.0 111.476 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -72.65 -29.17 63.22 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.83 -0.806 . . . . 25.0 108.862 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mt -69.78 -39.06 76.87 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 110.013 -0.366 . . . . 25.0 110.013 176.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.05 -33.08 73.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.644 0.735 . . . . 25.0 110.939 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.84 26.18 5.35 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.808 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -63.45 157.73 22.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.354 -0.384 . . . . 25.0 110.657 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -134.32 -54.48 0.85 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.607 -0.27 . . . . 25.0 110.511 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -78.96 86.91 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -63.53 -28.83 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 25.0 111.029 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.95 -41.03 78.59 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 121.094 0.473 . . . . 25.0 109.791 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.48 -36.45 33.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.754 -175.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 p -66.88 -40.6 86.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -80.29 -29.29 38.21 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -56.38 -46.65 79.98 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-O 118.848 -0.596 . . . . 25.0 109.835 174.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.86 -40.76 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 119.087 0.858 . . . . 25.0 108.952 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.1 mmt -69.19 -48.65 61.54 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 115.726 -0.67 . . . . 25.0 112.483 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -37.14 84.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.507 0.194 . . . . 25.0 110.509 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.25 -41.92 97.73 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.5 OUTLIER -81.42 -24.45 36.89 Favored 'General case' 0 C--O 1.204 -1.331 0 C-N-CA 118.794 -1.162 . . . . 25.0 111.895 179.6 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.93 -29.86 65.48 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -102.48 -20.26 14.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.659 0.742 . . . . 25.0 110.799 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -96.83 12.81 30.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.44 -0.8 . . . . 25.0 108.933 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.11 -21.52 66.03 Favored Glycine 0 C--O 1.222 -0.615 0 N-CA-C 115.46 0.944 . . . . 25.0 115.46 -169.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.91 4.23 50.62 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.839 0.828 . . . . 25.0 110.207 -174.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.09 -154.93 30.41 Favored Glycine 0 N--CA 1.421 -2.322 0 N-CA-C 104.48 -3.448 . . . . 25.0 104.48 172.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -150.25 171.01 17.64 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 121.983 -0.716 . . . . 25.0 110.344 -174.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.99 168.59 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.559 -1.2 . . . . 25.0 108.569 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -125.37 -174.04 2.97 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 104.864 -2.272 . . . . 25.0 104.864 173.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -54.13 -49.03 70.12 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.606 0.965 . . . . 25.0 113.606 177.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.574 ' HB2' HG11 ' A' ' 83' ' ' VAL . 63.5 tt0 -55.27 -44.15 75.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.138 0.426 . . . . 25.0 111.026 -177.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.51 -49.02 67.93 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 122.341 1.067 . . . . 25.0 108.649 -175.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -38.83 83.23 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.565 -1.198 . . . . 25.0 111.117 -174.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -72.36 -36.26 54.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.75 -0.38 . . . . 25.0 110.857 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.45 HG22 HG22 ' A' ' 76' ' ' VAL . 53.8 t -61.8 -43.12 96.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 177.213 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.7 mt -68.53 -37.96 80.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.085 0.469 . . . . 25.0 110.686 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 10.3 t -62.55 -45.07 99.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.484 -0.561 . . . . 25.0 109.484 176.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.94 84.82 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.062 -0.399 . . . . 25.0 110.812 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.34 96.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.065 0.459 . . . . 25.0 110.409 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.44 -37.28 82.75 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 89.9 m -60.13 -46.8 88.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.196 -0.456 . . . . 25.0 110.981 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.451 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.8 m -71.55 -28.64 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 119.195 0.907 . . . . 25.0 111.965 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.67 0 CA-C-O 121.326 0.584 . . . . 25.0 110.845 175.591 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.553 0 CA-C-O 119.44 -0.645 . . . . 25.0 111.73 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.9 p -69.63 176.7 3.37 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 107.487 -1.301 . . . . 25.0 107.487 171.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.82 -39.91 93.43 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.472 0.578 . . . . 25.0 110.111 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.448 HD22 HD13 ' B' ' 41' ' ' LEU . 6.2 tt -64.6 -43.84 92.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.802 0.811 . . . . 25.0 109.989 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.12 -33.36 73.34 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 121.536 -0.728 . . . . 25.0 112.053 -177.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 p -71.59 -28.33 63.74 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 118.445 0.566 . . . . 25.0 109.563 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.25 90.35 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.3 mmm -71.05 -32.33 69.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -71.53 -24.77 62.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.065 -0.717 . . . . 25.0 109.065 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.8 m -66.74 -42.25 86.52 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.112 -0.368 . . . . 25.0 110.243 170.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -33.1 72.06 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.2 mt -67.58 -46.63 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -57.87 -47.25 83.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.184 0.516 . . . . 25.0 110.291 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.436 HG11 HD12 ' B' ' 4' ' ' LEU . 89.0 t -64.66 -42.16 94.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.592 -0.731 . . . . 25.0 111.864 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.98 -43.82 98.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.484 -0.76 . . . . 25.0 109.635 176.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -71.32 -14.19 62.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.559 0.948 . . . . 25.0 113.559 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.15 67.67 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.129 -0.323 . . . . 25.0 110.129 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -109.7 -16.78 13.84 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.443 0.534 . . . . 25.0 112.443 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.1 p -64.23 162.15 15.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.556 0.693 . . . . 25.0 111.056 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.08 -2.08 74.9 Favored Glycine 0 C--O 1.227 -0.299 0 C-N-CA 119.838 -1.172 . . . . 25.0 114.429 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -55.8 -42.09 75.12 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 121.894 0.854 . . . . 25.0 109.149 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -77.39 -28.46 52.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.287 -1.324 . . . . 25.0 113.344 -175.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.67 -30.08 4.3 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.63 -0.714 . . . . 25.0 113.237 -174.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -90.18 129.98 36.38 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -84.31 -14.82 48.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.624 0.601 . . . . 25.0 112.624 -170.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -106.75 11.62 30.02 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.163 -0.68 . . . . 25.0 109.163 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -132.85 158.96 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.479 -0.782 . . . . 25.0 109.395 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -143.24 134.1 25.39 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.16 147.75 52.91 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.757 -0.46 . . . . 25.0 109.757 178.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.57 -42.16 96.07 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -30.85 71.72 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.348 0.976 . . . . 25.0 110.051 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -77.09 -25.49 52.33 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.589 -0.732 . . . . 25.0 109.815 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 69' ' ' VAL . 15.4 tp -67.57 -36.45 80.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.788 -0.57 . . . . 25.0 110.565 175.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HB2' HD11 ' A' ' 61' ' ' LEU . 31.7 ttpt -58.82 -33.73 70.72 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.694 -0.402 . . . . 25.0 110.529 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -63.47 -48.31 78.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.679 -0.489 . . . . 25.0 109.679 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 tt -59.06 -46.71 87.57 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.71 -32.31 73.4 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.544 -0.753 . . . . 25.0 111.829 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -81.48 -22.52 38.0 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 122.024 -0.422 . . . . 25.0 111.326 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.5 m -92.25 -56.25 3.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.89 -0.596 . . . . 25.0 112.054 -176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -87.93 -38.36 15.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.447 HD13 HD22 ' B' ' 4' ' ' LEU . 9.9 tp -90.68 8.14 35.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.351 0.596 . . . . 25.0 110.195 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.19 -37.5 15.94 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 115.748 1.759 . . . . 25.0 115.748 176.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.12 64.67 Favored Glycine 0 C--O 1.225 -0.452 0 C-N-CA 120.543 -0.837 . . . . 25.0 111.219 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -74.48 -27.31 60.51 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.739 -0.859 . . . . 25.0 109.152 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.24 -40.29 74.55 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.35 -29.18 69.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.661 0.743 . . . . 25.0 110.651 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.34 17.55 19.85 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.797 -0.638 . . . . 25.0 111.259 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.31 148.36 37.14 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.575 0.703 . . . . 25.0 110.524 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -122.78 -46.19 2.13 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.335 -0.987 . . . . 25.0 108.335 176.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -86.33 85.98 7.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.569 -0.742 . . . . 25.0 109.359 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.68 -22.94 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.052 -0.976 . . . . 25.0 110.809 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -72.91 -51.05 20.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.213 0.53 . . . . 25.0 109.679 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.43 74.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -174.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.69 -40.91 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.36 -29.54 37.92 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.065 0.46 . . . . 25.0 110.726 -176.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -33.11 67.6 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.211 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.7 t -83.29 -42.98 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.7 mmt -66.47 -53.69 32.5 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 -175.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -35.31 80.01 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.715 -0.394 . . . . 25.0 110.562 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -62.35 -43.13 99.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.476 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.579 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -77.94 -23.86 48.4 Favored 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 119.168 -1.013 . . . . 25.0 110.189 -179.154 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.52 -25.13 67.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.843 0.354 . . . . 25.0 111.9 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -100.2 -25.95 14.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.617 0.722 . . . . 25.0 110.289 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -97.15 17.13 17.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.607 -0.724 . . . . 25.0 110.321 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.0 -20.72 67.12 Favored Glycine 0 C--O 1.219 -0.824 0 N-CA-C 115.3 0.88 . . . . 25.0 115.3 -169.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -89.03 6.02 41.65 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 122.063 0.935 . . . . 25.0 110.455 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.19 -155.32 30.96 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 104.857 -3.297 . . . . 25.0 104.857 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -153.44 168.98 24.3 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.949 -0.736 . . . . 25.0 109.892 -175.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.407 HG21 HD22 ' A' ' 33' ' ' LEU . 2.8 m -140.6 168.82 16.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.073 -0.967 . . . . 25.0 108.995 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -121.24 -174.34 2.82 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.095 -1.816 . . . . 25.0 106.095 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -53.97 -47.98 70.79 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 113.342 0.867 . . . . 25.0 113.342 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.516 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.6 tt0 -55.42 -45.39 76.75 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.935 -0.478 . . . . 25.0 110.831 -177.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -45.17 69.9 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.25 1.024 . . . . 25.0 109.101 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.8 -40.32 79.63 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.606 -1.179 . . . . 25.0 110.265 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.12 -36.85 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 122.26 -0.275 . . . . 25.0 111.011 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 72' ' ' GLN . 59.4 t -58.29 -45.84 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 177.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.3 mt -70.0 -37.94 75.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.963 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.1 t -62.09 -44.94 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.49 -36.96 85.43 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.103 -0.373 . . . . 25.0 110.861 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.45 95.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.162 0.506 . . . . 25.0 110.467 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.92 -36.21 79.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.315 0.578 . . . . 25.0 109.743 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.4 m -61.08 -44.92 96.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.169 -0.468 . . . . 25.0 111.083 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.453 HG11 ' HB2' ' B' ' 72' ' ' GLN . 29.4 m -71.78 -28.44 30.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 120.879 -1.138 . . . . 25.0 111.914 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.34 -20.53 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.252 0.548 . . . . 25.0 110.862 175.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -102.36 -15.35 16.57 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.811 -1.181 . . . . 25.0 112.293 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -52.26 -20.91 2.96 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.863 1.06 . . . . 25.0 113.863 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -48.75 -15.81 0.1 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.165 0.986 . . . . 25.0 113.634 169.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -51.63 -33.95 35.62 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.776 -0.577 . . . . 25.0 112.182 173.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -94.53 12.43 27.44 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -116.01 103.36 10.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.154 0.978 . . . . 25.0 109.404 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -86.01 85.29 7.37 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.053 -0.976 . . . . 25.0 110.161 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.4 p . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.255 -1.355 . . . . 25.0 110.287 176.183 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.459 0 CA-C-O 119.567 -0.574 . . . . 25.0 111.872 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -69.42 -177.77 1.24 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 173.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -63.24 -42.77 99.24 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.885 -0.509 . . . . 25.0 109.792 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.447 HD22 HD13 ' A' ' 41' ' ' LEU . 3.6 tt -65.64 -43.54 89.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.762 0.791 . . . . 25.0 109.941 177.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.49 -32.92 73.24 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.346 -0.846 . . . . 25.0 112.073 -175.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.9 p -73.4 -30.11 63.04 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.82 84.56 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 173.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.3 mmm -70.6 -32.35 69.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.534 0.938 . . . . 25.0 113.534 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.99 -25.69 62.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.67 -0.644 . . . . 25.0 109.326 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -65.03 -42.13 94.62 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 122.143 -0.348 . . . . 25.0 110.105 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.52 -32.89 73.9 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.452 -0.573 . . . . 25.0 109.452 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -68.35 -47.41 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.86 -49.64 76.98 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.25 0.548 . . . . 25.0 110.837 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 p -72.76 -29.81 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 115.843 -0.617 . . . . 25.0 112.517 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.34 -45.13 95.68 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.885 -1.135 . . . . 25.0 108.978 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -66.54 -19.82 65.87 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.472 -0.786 . . . . 25.0 112.119 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.84 -28.22 69.4 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.749 -0.594 . . . . 25.0 112.293 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -116.99 0.25 12.36 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.68 0.252 . . . . 25.0 111.68 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.437 ' HA ' HD13 ' B' ' 28' ' ' LEU . 59.6 p -75.19 170.98 14.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.024 0.75 . . . . 25.0 113.024 -174.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.18 19.42 59.04 Favored Glycine 0 CA--C 1.508 -0.35 0 N-CA-C 116.745 1.458 . . . . 25.0 116.745 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -67.8 -36.0 79.64 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.991 1.395 . . . . 25.0 108.367 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -82.94 -3.74 57.41 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.912 -1.04 . . . . 25.0 112.252 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.86 -30.28 9.64 Favored Glycine 0 N--CA 1.462 0.412 0 CA-C-N 115.28 -0.873 . . . . 25.0 114.352 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -85.1 125.6 32.92 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 106.764 -1.569 . . . . 25.0 106.764 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -92.7 -8.25 44.46 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -170.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -96.97 8.13 45.13 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.897 -1.52 . . . . 25.0 106.897 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -130.36 160.83 32.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.409 -0.814 . . . . 25.0 109.648 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' B' ' 19' ' ' SER . 11.7 tp -151.58 138.93 19.4 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 106.453 -1.684 . . . . 25.0 106.453 176.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.15 148.03 51.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.999 0.818 . . . . 25.0 109.676 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -59.41 -43.56 92.99 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.539 1.311 . . . . 25.0 114.539 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -30.11 70.98 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.25 0.932 . . . . 25.0 110.263 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -77.92 -24.4 48.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.367 -0.833 . . . . 25.0 109.529 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.496 HD22 HG21 ' B' ' 69' ' ' VAL . 24.8 tp -69.2 -36.11 76.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.91 0.386 . . . . 25.0 110.416 177.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.484 ' HB2' HD11 ' B' ' 61' ' ' LEU . 30.4 ttpt -57.0 -34.31 68.01 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.458 -0.337 . . . . 25.0 110.945 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.56 -48.81 79.28 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.33 -45.6 90.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.658 0.742 . . . . 25.0 109.161 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.93 -30.12 70.65 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.762 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -81.85 -22.46 36.96 Favored 'General case' 0 C--N 1.316 -0.889 0 O-C-N 121.499 -0.751 . . . . 25.0 110.566 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.4 m -88.85 -56.4 3.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.772 -0.649 . . . . 25.0 111.184 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -92.53 -31.83 15.07 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.844 1.053 . . . . 25.0 113.844 -174.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.448 HD13 HD22 ' A' ' 4' ' ' LEU . 11.7 tp -95.13 9.57 39.11 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.998 -0.742 . . . . 25.0 108.998 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.3 t -48.36 -37.15 16.02 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.526 1.676 . . . . 25.0 115.526 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.61 -34.24 57.1 Favored Glycine 0 C--O 1.225 -0.438 0 C-N-CA 120.482 -0.866 . . . . 25.0 111.222 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -73.45 -29.45 62.55 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.78 -39.09 80.36 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.93 -30.06 69.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.463 0.649 . . . . 25.0 111.689 177.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.3 18.88 14.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.099 -0.501 . . . . 25.0 111.34 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -61.32 149.25 38.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.532 0.682 . . . . 25.0 110.959 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -127.35 -46.7 1.47 Allowed 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -83.76 85.85 7.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 176.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.49 -27.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.544 -0.753 . . . . 25.0 110.445 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.17 -40.14 74.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.311 0.577 . . . . 25.0 109.465 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.93 -36.83 41.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 25.0 112.217 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.4 p -64.98 -40.13 88.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -80.3 -27.74 38.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.94 -0.573 . . . . 25.0 111.231 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.67 -32.69 65.66 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.764 -0.458 . . . . 25.0 109.764 176.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.6 -45.7 18.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.539 -0.464 . . . . 25.0 110.391 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.6 mmt -67.54 -49.95 60.92 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -174.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -36.31 83.61 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.785 -0.366 . . . . 25.0 110.026 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.74 -43.03 94.66 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.972 -0.291 . . . . 25.0 110.832 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -76.31 -24.32 54.35 Favored 'General case' 0 C--O 1.201 -1.463 0 C-N-CA 119.343 -0.943 . . . . 25.0 109.157 -176.215 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.3 -22.4 66.94 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.863 -0.523 . . . . 25.0 112.225 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -103.55 -23.41 13.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.352 0.596 . . . . 25.0 110.91 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -97.68 13.38 30.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.622 0.725 . . . . 25.0 110.378 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.7 -17.34 69.0 Favored Glycine 0 C--O 1.219 -0.793 0 N-CA-C 116.491 1.357 . . . . 25.0 116.491 -167.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -89.71 3.0 54.11 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.593 0.711 . . . . 25.0 110.461 -172.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.43 -155.93 30.25 Favored Glycine 0 N--CA 1.419 -2.444 0 N-CA-C 104.989 -3.245 . . . . 25.0 104.989 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.63 166.44 31.22 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 122.237 -0.566 . . . . 25.0 110.131 -173.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.496 HG21 HD22 ' B' ' 33' ' ' LEU . 3.5 m -136.07 171.22 17.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.139 -0.937 . . . . 25.0 108.841 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -126.38 -174.0 3.01 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 105.162 -2.162 . . . . 25.0 105.162 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -53.16 -47.95 68.36 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.453 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.6 tt0 -55.17 -45.74 75.77 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.174 0.443 . . . . 25.0 111.272 -177.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -47.32 65.3 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 122.319 1.056 . . . . 25.0 108.589 -175.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -40.11 81.83 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.661 -1.154 . . . . 25.0 110.857 -176.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.37 -36.93 63.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 O-C-N 122.306 -0.246 . . . . 25.0 111.066 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.417 HG22 HG22 ' A' ' 76' ' ' VAL . 51.8 t -60.62 -43.58 95.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.609 -0.515 . . . . 25.0 109.609 177.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.5 mt -69.36 -37.56 77.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.99 0.424 . . . . 25.0 110.803 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.4 -43.86 98.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.07 81.8 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.072 -0.393 . . . . 25.0 111.308 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.9 97.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.13 0.49 . . . . 25.0 110.213 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -35.97 77.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.244 0.545 . . . . 25.0 109.665 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 82.2 m -59.71 -44.97 93.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.275 -0.421 . . . . 25.0 111.003 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.458 HG11 ' HB2' ' A' ' 72' ' ' GLN . 29.3 m -72.44 -30.31 34.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 120.89 -1.131 . . . . 25.0 111.958 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 -24.06 67.36 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.219 0.533 . . . . 25.0 111.328 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -101.6 -14.48 17.42 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.495 -1.378 . . . . 25.0 111.615 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -42.72 -20.38 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 118.374 2.731 . . . . 25.0 118.374 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -40.71 -19.31 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 114.461 1.282 . . . . 25.0 114.461 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -56.89 -25.72 57.52 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.223 0.92 . . . . 25.0 113.319 173.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -110.87 17.15 20.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.017 0.437 . . . . 25.0 110.898 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -115.53 110.25 18.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.901 0.858 . . . . 25.0 109.751 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -83.37 84.39 7.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.534 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.327 -0.844 . . . . 25.0 109.793 176.192 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.884 0 N-CA-C 111.318 -0.713 . . . . 25.0 111.318 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -72.05 173.14 8.85 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 106.889 -1.523 . . . . 25.0 106.889 170.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.13 -35.83 81.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.23 0.538 . . . . 25.0 110.108 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.488 HD12 HG11 ' B' ' 14' ' ' VAL . 2.8 tt -64.73 -43.02 94.74 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 121.876 0.846 . . . . 25.0 109.604 177.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.86 -33.95 75.75 Favored 'General case' 0 C--N 1.314 -0.939 0 O-C-N 121.339 -0.85 . . . . 25.0 111.561 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 p -73.41 -27.15 61.29 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.377 -0.529 . . . . 25.0 110.041 174.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.31 94.58 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 175.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.9 mmm -70.76 -33.94 71.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.126 0.787 . . . . 25.0 113.126 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.78 -27.92 66.32 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.4 m -64.89 -42.71 94.57 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.182 -0.324 . . . . 25.0 110.454 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.58 -34.83 74.76 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -67.03 -46.54 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.564 -0.532 . . . . 25.0 109.564 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.42 -47.34 84.24 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.549 0.69 . . . . 25.0 110.82 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.45 HG11 HD12 ' B' ' 4' ' ' LEU . 78.5 t -63.69 -43.85 98.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.279 -0.873 . . . . 25.0 111.489 -178.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -60.8 -44.47 96.82 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.643 -0.661 . . . . 25.0 109.423 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -66.22 -18.47 65.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.583 -0.735 . . . . 25.0 112.909 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.46 -42.65 74.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.696 -0.628 . . . . 25.0 111.102 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -95.96 -15.84 22.08 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.725 0.639 . . . . 25.0 112.725 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.7 p -63.37 166.7 6.12 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -175.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.04 20.95 54.31 Favored Glycine 0 C--O 1.224 -0.521 0 C-N-CA 120.396 -0.907 . . . . 25.0 114.809 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -69.35 -32.78 72.07 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 106.63 -1.618 . . . . 25.0 106.63 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -89.15 -1.23 58.0 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.465 -1.243 . . . . 25.0 111.91 176.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.81 -30.94 9.25 Favored Glycine 0 C--O 1.225 -0.453 0 N-CA-C 115.329 0.892 . . . . 25.0 115.329 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -85.8 122.45 29.89 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.907 -0.775 . . . . 25.0 108.907 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -79.37 -8.21 58.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.767 1.025 . . . . 25.0 113.767 -173.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.66 10.91 36.61 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -131.31 155.27 47.49 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.75 -0.659 . . . . 25.0 110.224 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 tp -145.31 134.07 22.29 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 1.9 m -66.73 146.55 54.34 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 118.725 0.693 . . . . 25.0 109.658 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.09 -51.95 66.03 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -174.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -31.37 66.09 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 176.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -79.0 -23.38 44.42 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.226 0.536 . . . . 25.0 110.601 -178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.447 HD22 HG21 ' A' ' 69' ' ' VAL . 24.6 tp -65.88 -31.06 71.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.56 0.695 . . . . 25.0 109.985 176.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HB2' HD11 ' A' ' 61' ' ' LEU . 34.0 ttpt -60.79 -31.52 70.88 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.806 -0.633 . . . . 25.0 110.394 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.87 -47.11 84.74 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.41 -45.75 93.0 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.04 -27.79 69.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.602 0.715 . . . . 25.0 111.223 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -81.86 -22.51 36.9 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 123.214 0.605 . . . . 25.0 111.487 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 m -100.31 -60.66 1.49 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -88.13 -18.18 29.37 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.9 tp -111.95 9.82 20.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.741 -0.663 . . . . 25.0 109.337 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.24 -38.02 38.51 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 115.178 1.547 . . . . 25.0 115.178 177.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.18 -29.27 72.16 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 120.882 -0.675 . . . . 25.0 112.083 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -79.78 -28.35 40.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.684 -0.892 . . . . 25.0 108.914 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.15 -39.81 82.54 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.07 -31.65 69.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.538 0.685 . . . . 25.0 111.519 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.15 18.76 7.67 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 116.355 -0.384 . . . . 25.0 110.312 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -61.53 156.22 20.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.031 0.443 . . . . 25.0 110.076 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -138.26 -45.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -80.89 88.84 5.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.126 -0.943 . . . . 25.0 108.558 175.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -67.25 -25.41 33.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.466 -176.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.55 -43.77 46.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.292 -0.633 . . . . 25.0 109.292 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.66 -38.21 62.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.37 -39.7 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -80.36 -28.95 37.91 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 116.093 -0.503 . . . . 25.0 111.352 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -36.25 69.46 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.92 -43.92 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.636 0.731 . . . . 25.0 109.455 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.9 mmt -67.99 -51.39 47.86 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.749 -0.66 . . . . 25.0 112.267 -175.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -37.53 87.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.127 -0.323 . . . . 25.0 110.127 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -60.78 -42.91 98.45 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.761 -0.376 . . . . 25.0 110.491 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -78.85 -24.01 44.62 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 118.749 -1.18 . . . . 25.0 110.457 -178.53 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.9 -25.27 65.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.937 0.399 . . . . 25.0 110.877 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -93.58 -26.95 16.89 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.789 0.804 . . . . 25.0 109.014 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -95.39 17.85 13.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.17 -0.923 . . . . 25.0 109.049 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.63 29.1 1.77 Allowed Glycine 0 C--O 1.214 -1.108 0 CA-C-N 115.782 -0.644 . . . . 25.0 114.432 -173.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -116.01 -16.24 11.09 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 112.746 0.647 . . . . 25.0 112.746 168.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.79 -150.45 21.79 Favored Glycine 0 N--CA 1.441 -0.97 0 N-CA-C 110.566 -1.014 . . . . 25.0 110.566 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.441 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -149.31 168.21 23.95 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.926 -0.637 . . . . 25.0 110.836 -171.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.447 HG21 HD22 ' A' ' 33' ' ' LEU . 3.4 m -136.85 171.09 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.437 -0.802 . . . . 25.0 109.147 177.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -126.62 -174.14 3.05 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 105.248 -2.13 . . . . 25.0 105.248 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -53.29 -48.62 68.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.696 0.999 . . . . 25.0 113.696 176.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.2 tt0 -56.37 -45.3 80.56 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.582 0.628 . . . . 25.0 110.997 -177.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.25 -45.13 74.02 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 122.351 1.072 . . . . 25.0 108.845 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -39.67 84.76 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.803 -1.09 . . . . 25.0 110.61 -177.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.2 t -71.51 -36.18 59.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 122.231 -0.293 . . . . 25.0 110.654 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 72' ' ' GLN . 72.5 t -58.4 -46.14 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.391 0.615 . . . . 25.0 109.507 176.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.32 -35.91 71.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.036 -0.529 . . . . 25.0 111.138 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 t -63.67 -43.74 98.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.454 -0.572 . . . . 25.0 109.454 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.22 -37.63 87.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.174 -0.329 . . . . 25.0 110.139 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.69 98.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 25.0 110.76 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.97 -35.13 74.21 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.366 0.603 . . . . 25.0 110.065 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -61.69 -45.7 92.88 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 122.117 -0.364 . . . . 25.0 111.211 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.9 m -68.55 -22.47 27.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.946 0 N-CA-C 113.223 0.823 . . . . 25.0 113.223 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.23 -4.79 0.89 Allowed 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 119.382 0.992 . . . . 25.0 112.716 174.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -53.05 -21.13 4.21 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 118.077 2.621 . . . . 25.0 118.077 -172.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -60.45 -26.6 66.87 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 118.885 0.766 . . . . 25.0 111.311 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -60.65 -19.76 59.04 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 113.636 0.976 . . . . 25.0 113.636 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.58 -28.09 67.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.441 0.638 . . . . 25.0 109.845 175.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -110.66 -3.43 15.86 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -104.03 102.98 12.74 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 106.811 -1.552 . . . . 25.0 106.811 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -95.27 77.97 3.45 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.231 -1.35 . . . . 25.0 110.722 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.246 0.897 0 CA-C-O 117.18 -1.391 . . . . 25.0 109.608 -178.597 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.426 0 CA-C-O 119.328 -0.707 . . . . 25.0 111.606 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -65.67 169.81 5.88 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 173.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.6 -40.65 88.21 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.207 0.527 . . . . 25.0 111.63 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.45 HD12 HG11 ' A' ' 14' ' ' VAL . 2.2 tt -65.81 -41.69 91.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.898 0.856 . . . . 25.0 109.965 177.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -65.3 -36.33 83.75 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.623 -0.673 . . . . 25.0 110.924 -176.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.6 p -72.59 -28.7 62.95 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.405 -0.518 . . . . 25.0 110.694 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.69 -44.97 92.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.893 -1.151 . . . . 25.0 107.893 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -71.6 -32.84 68.47 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -68.39 -28.52 67.18 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.39 -0.819 . . . . 25.0 108.91 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.1 m -63.59 -44.43 94.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.777 0.322 . . . . 25.0 110.39 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.85 -35.79 77.47 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.6 -46.91 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 109.454 -0.573 . . . . 25.0 109.454 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -58.93 -44.69 91.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 25.0 111.417 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.488 HG11 HD12 ' A' ' 4' ' ' LEU . 80.7 t -66.84 -43.4 89.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.726 -0.67 . . . . 25.0 110.981 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.88 -44.83 96.55 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -66.46 -18.91 65.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.19 -47.28 74.44 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 122.025 -0.422 . . . . 25.0 110.95 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -92.91 -16.86 24.7 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 90.1 p -62.0 165.6 5.39 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.15 17.16 61.48 Favored Glycine 0 CA--C 1.509 -0.327 0 C-N-CA 120.452 -0.88 . . . . 25.0 114.425 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -67.88 -32.21 72.55 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 107.778 -1.193 . . . . 25.0 107.778 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -91.81 -0.41 57.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.997 -1.456 . . . . 25.0 112.004 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.73 -29.76 11.01 Favored Glycine 0 N--CA 1.461 0.345 0 CA-C-N 115.666 -0.697 . . . . 25.0 114.289 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -86.34 120.36 27.61 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -82.85 -11.06 58.53 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 113.666 0.987 . . . . 25.0 113.666 -171.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -93.32 4.53 53.83 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.354 -0.98 . . . . 25.0 108.354 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -129.88 154.31 47.43 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.0 -0.545 . . . . 25.0 111.01 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -141.12 131.56 25.27 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 106.01 -1.848 . . . . 25.0 106.01 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 5.0 m -65.51 145.25 56.34 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.244 -0.582 . . . . 25.0 110.22 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -54.69 -51.12 66.54 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.025 0.75 . . . . 25.0 113.025 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.44 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -58.96 -31.28 68.59 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 176.73 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -78.38 -23.53 46.77 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 121.398 0.618 . . . . 25.0 110.196 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.22 -31.73 73.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.862 -0.524 . . . . 25.0 110.134 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.566 ' HB2' HD11 ' B' ' 61' ' ' LEU . 34.6 ttpt -60.58 -33.06 72.16 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.48 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.5 -47.86 74.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.031 -0.729 . . . . 25.0 109.031 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.1 -46.21 90.35 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.1 mt -62.7 -30.24 71.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.024 -0.535 . . . . 25.0 111.624 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -81.91 -22.37 36.83 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 122.807 0.443 . . . . 25.0 111.488 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 36.7 m -94.53 -52.28 4.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.771 -0.649 . . . . 25.0 112.3 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -94.39 -25.85 16.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -174.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 tp -104.72 12.03 33.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -40.54 30.85 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.59 1.7 . . . . 25.0 115.59 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.63 -34.57 62.95 Favored Glycine 0 C--O 1.229 -0.181 0 C-N-CA 120.426 -0.892 . . . . 25.0 110.896 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -70.82 -31.07 67.68 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.716 -0.873 . . . . 25.0 109.387 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 mt -68.72 -39.77 80.25 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 110.032 -0.358 . . . . 25.0 110.032 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.33 -36.04 81.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.651 0.738 . . . . 25.0 111.287 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.19 28.64 3.52 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.302 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -64.67 159.55 21.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.755 -0.461 . . . . 25.0 109.755 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -132.6 -47.94 0.89 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.543 -0.54 . . . . 25.0 109.543 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -84.84 92.26 8.21 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.524 -0.547 . . . . 25.0 109.524 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -67.1 -22.16 28.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.493 -0.776 . . . . 25.0 112.363 -176.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -79.07 -50.0 11.76 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.725 . . . . 25.0 109.044 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.19 85.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.682 -0.235 . . . . 25.0 111.502 -175.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -63.74 -41.76 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.64 -31.31 36.53 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 120.956 0.407 . . . . 25.0 111.131 -174.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -57.9 -42.1 84.0 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 116.372 -0.377 . . . . 25.0 110.351 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 82.9 t -66.41 -40.95 87.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 -177.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.0 mmt -67.9 -49.04 64.24 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 115.817 -0.628 . . . . 25.0 112.187 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -37.97 87.94 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 121.087 -0.245 . . . . 25.0 110.561 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -61.66 -41.15 97.14 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.149 -0.315 . . . . 25.0 110.149 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -78.73 -23.45 45.45 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 118.927 -1.109 . . . . 25.0 110.584 -179.447 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.68 -25.53 66.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.894 0.378 . . . . 25.0 110.993 -176.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -97.38 -24.64 15.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.66 0.743 . . . . 25.0 109.683 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -95.55 17.94 13.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.435 -0.802 . . . . 25.0 108.854 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.26 36.26 1.75 Allowed Glycine 0 C--O 1.22 -0.78 0 CA-C-N 115.991 -0.55 . . . . 25.0 114.116 -174.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -115.85 -29.93 6.24 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 122.647 -0.325 . . . . 25.0 111.285 175.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.53 -150.35 13.71 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-O 122.385 0.992 . . . . 25.0 112.007 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.544 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -146.67 165.09 30.61 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.177 -1.012 . . . . 25.0 110.149 -171.752 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.34 168.45 24.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.93 -174.13 2.7 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -52.76 -47.53 67.4 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.512 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.4 tt0 -55.0 -47.3 74.84 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.938 -0.476 . . . . 25.0 111.34 -177.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.07 -44.8 71.82 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.972 0.892 . . . . 25.0 109.124 -174.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -40.16 84.17 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.14 -0.936 . . . . 25.0 111.202 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.94 -36.23 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.275 -0.265 . . . . 25.0 110.673 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.457 HG22 HG22 ' A' ' 76' ' ' VAL . 53.1 t -60.81 -43.52 95.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.51 -35.93 73.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.052 0.454 . . . . 25.0 110.792 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.4 t -63.03 -43.53 99.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.279 -0.638 . . . . 25.0 109.279 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.67 83.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.065 -0.397 . . . . 25.0 110.759 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.46 97.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.126 0.488 . . . . 25.0 110.312 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.08 -34.26 72.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.378 0.609 . . . . 25.0 109.921 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 54.6 m -63.88 -43.62 95.5 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.056 -0.403 . . . . 25.0 111.056 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 72' ' ' GLN . 34.0 m -71.25 -23.54 23.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 O-C-N 121.514 -0.741 . . . . 25.0 111.844 177.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.24 0.72 1.27 Allowed 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.362 -0.836 . . . . 25.0 111.094 171.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -60.86 -15.49 31.11 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.537 2.051 . . . . 25.0 116.537 -173.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -61.34 -21.09 63.7 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 118.647 0.658 . . . . 25.0 111.468 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.06 -27.23 66.79 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -65.05 -30.44 71.4 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.707 0.765 . . . . 25.0 109.954 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -100.84 3.57 42.08 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 115.46 -0.791 . . . . 25.0 112.216 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.91 103.13 15.06 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 105.184 -2.154 . . . . 25.0 105.184 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.51 87.42 3.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.441 -0.799 . . . . 25.0 111.189 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.246 0.883 0 CA-C-O 116.93 -1.51 . . . . 25.0 109.599 177.741 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.547 0 CA-C-O 119.522 -0.599 . . . . 25.0 111.756 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -70.62 178.43 3.02 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.54 -44.07 96.51 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.384 0.538 . . . . 25.0 110.911 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.535 HD22 HD13 ' B' ' 41' ' ' LEU . 5.5 tt -65.0 -40.83 95.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.727 0.775 . . . . 25.0 109.853 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.58 -34.55 74.31 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.566 -0.708 . . . . 25.0 111.947 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 p -71.86 -28.46 63.56 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 118.629 0.65 . . . . 25.0 109.507 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.04 87.18 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.464 -1.31 . . . . 25.0 107.464 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.1 mmm -71.33 -32.97 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.648 0.981 . . . . 25.0 113.648 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -69.89 -26.62 64.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 m -65.04 -43.5 92.15 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.61 -0.268 . . . . 25.0 110.59 171.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.27 -35.89 74.54 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.122 -0.696 . . . . 25.0 109.122 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.4 mt -65.6 -47.1 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -58.7 -45.93 88.43 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.47 0.652 . . . . 25.0 111.113 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.417 HG11 HD12 ' B' ' 4' ' ' LEU . 72.4 t -64.49 -44.2 96.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.367 -0.833 . . . . 25.0 111.326 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.96 -42.99 99.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.444 0.64 . . . . 25.0 109.496 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -64.86 -19.43 65.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.499 -0.773 . . . . 25.0 112.624 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -49.85 68.59 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -91.88 -18.24 24.07 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.9 p -66.04 169.72 6.51 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.556 0.947 . . . . 25.0 113.556 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.57 4.16 17.76 Favored Glycine 0 C--O 1.225 -0.408 0 CA-C-O 121.777 0.654 . . . . 25.0 113.568 175.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -69.02 -33.07 73.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.307 0.575 . . . . 25.0 112.099 -174.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -75.29 -26.56 58.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.627 0.727 . . . . 25.0 111.4 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.87 -30.58 6.06 Favored Glycine 0 C--O 1.225 -0.421 0 N-CA-C 106.813 -2.515 . . . . 25.0 106.813 -173.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -86.08 136.82 33.07 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.705 -1.961 . . . . 25.0 105.705 169.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -84.38 -12.3 54.72 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-O 121.457 0.646 . . . . 25.0 111.074 -176.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -93.56 11.38 28.94 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.614 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -128.43 145.02 51.22 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.325 -0.398 . . . . 25.0 112.045 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -141.31 136.0 31.13 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.14 145.31 53.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 118.201 0.455 . . . . 25.0 110.353 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -58.09 -44.99 87.9 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.524 0.935 . . . . 25.0 113.524 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -23.01 65.97 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.404 -0.81 . . . . 25.0 110.255 -178.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -86.26 -24.64 25.9 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 121.821 0.82 . . . . 25.0 109.225 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.466 HD22 HG21 ' A' ' 69' ' ' VAL . 15.0 tp -66.24 -37.91 86.63 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.494 -0.754 . . . . 25.0 109.688 170.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.54 ' HB2' HD11 ' A' ' 61' ' ' LEU . 31.4 ttpt -56.91 -34.28 67.78 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 122.074 -0.391 . . . . 25.0 110.902 177.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -63.43 -49.0 75.45 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.588 -0.523 . . . . 25.0 109.588 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.89 -45.22 90.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.449 0.642 . . . . 25.0 109.563 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.71 -31.33 72.47 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.848 -0.615 . . . . 25.0 111.712 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -81.75 -22.39 37.28 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 122.935 0.494 . . . . 25.0 110.693 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.7 m -91.79 -50.59 5.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.782 -0.645 . . . . 25.0 112.315 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -91.18 -45.05 8.87 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.086 0.47 . . . . 25.0 112.159 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.417 HD13 HD22 ' B' ' 4' ' ' LEU . 9.7 tp -85.01 9.75 13.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.649 0.738 . . . . 25.0 109.564 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -39.52 18.66 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 115.46 1.652 . . . . 25.0 115.46 174.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.99 -35.57 64.72 Favored Glycine 0 N--CA 1.458 0.135 0 C-N-CA 120.267 -0.968 . . . . 25.0 111.061 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -69.53 -32.89 72.0 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -69.88 -40.67 75.54 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 120.551 0.215 . . . . 25.0 111.196 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.54 -35.97 82.43 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.741 0.781 . . . . 25.0 110.74 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.1 29.95 4.02 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.689 -0.687 . . . . 25.0 110.218 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -62.59 152.49 34.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -129.53 -53.33 1.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.803 0.335 . . . . 25.0 110.645 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.95 84.51 6.92 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.699 -1.223 . . . . 25.0 107.699 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.3 m -64.09 -28.71 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.685 -0.689 . . . . 25.0 112.415 -173.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.76 -38.7 83.8 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.98 -39.03 43.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.981 -0.554 . . . . 25.0 112.234 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.94 -39.62 86.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -80.37 -29.83 37.89 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.21 -0.45 . . . . 25.0 111.316 -176.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.25 -36.16 70.6 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 121.056 -0.258 . . . . 25.0 110.359 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -77.52 -42.7 30.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.434 0.635 . . . . 25.0 109.499 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.1 mmt -68.1 -51.36 47.25 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 112.721 0.637 . . . . 25.0 112.721 -175.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -35.62 80.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.745 -0.382 . . . . 25.0 110.207 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.74 -42.69 99.79 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.656 -0.418 . . . . 25.0 110.676 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.67 -23.64 45.56 Favored 'General case' 0 C--O 1.204 -1.341 0 C-N-CA 118.913 -1.115 . . . . 25.0 110.357 -179.598 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.34 -26.13 67.6 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 122.005 -0.434 . . . . 25.0 112.142 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -102.16 -23.23 14.07 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.549 0.69 . . . . 25.0 110.673 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -96.52 14.15 25.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.806 0.812 . . . . 25.0 109.224 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.71 -19.84 67.63 Favored Glycine 0 C--O 1.218 -0.878 0 N-CA-C 116.705 1.442 . . . . 25.0 116.705 -167.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -89.94 1.76 55.87 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.388 0.614 . . . . 25.0 110.552 -172.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.67 -152.83 24.22 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 104.831 -3.308 . . . . 25.0 104.831 173.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.05 170.98 19.11 Favored 'General case' 0 C--N 1.311 -1.07 0 O-C-N 121.945 -0.738 . . . . 25.0 110.647 -172.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.466 HG21 HD22 ' A' ' 33' ' ' LEU . 2.8 m -139.61 168.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.198 -0.91 . . . . 25.0 109.456 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -122.77 -174.36 2.91 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.936 -1.876 . . . . 25.0 105.936 174.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -54.75 -48.89 72.02 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.664 0.987 . . . . 25.0 113.664 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.518 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.0 tt0 -55.18 -44.03 74.88 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.352 0.524 . . . . 25.0 110.575 -177.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -47.66 67.4 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 122.245 1.021 . . . . 25.0 108.757 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -39.33 79.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.641 -1.163 . . . . 25.0 111.125 -175.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.84 -36.39 58.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 121.077 -0.249 . . . . 25.0 110.966 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.489 HG22 HG22 ' B' ' 76' ' ' VAL . 57.0 t -61.73 -43.17 96.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.551 -0.536 . . . . 25.0 109.551 177.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.1 mt -68.66 -37.31 79.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.167 0.508 . . . . 25.0 110.632 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 t -62.82 -44.71 99.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 116.133 -0.485 . . . . 25.0 109.749 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.23 82.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.027 -0.42 . . . . 25.0 111.239 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.24 97.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.341 0.591 . . . . 25.0 110.324 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -35.51 75.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.43 0.633 . . . . 25.0 110.019 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.7 m -64.08 -41.08 97.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.196 -0.456 . . . . 25.0 111.881 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.487 HG11 ' HB2' ' B' ' 72' ' ' GLN . 31.6 m -71.51 -24.22 23.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 121.09 -1.006 . . . . 25.0 112.097 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.56 -5.03 9.9 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.088 0.947 . . . . 25.0 111.464 171.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -73.23 -31.22 64.02 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 115.817 1.784 . . . . 25.0 115.817 -172.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -64.19 -30.98 72.01 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 122.319 1.057 . . . . 25.0 111.224 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -11.68 4.11 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.347 1.61 . . . . 25.0 115.347 174.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -51.79 -25.06 6.86 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -93.64 14.89 17.62 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.649 1.351 . . . . 25.0 114.649 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.9 134.18 24.48 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 122.218 1.009 . . . . 25.0 109.386 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -93.94 78.2 4.14 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.599 -1.182 . . . . 25.0 112.547 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.3 m . . . . . 0 C--O 1.245 0.842 0 CA-C-O 116.599 -1.667 . . . . 25.0 106.723 176.887 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.639 0 CA-C-O 119.334 -0.703 . . . . 25.0 111.811 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.32 175.01 1.84 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 172.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.1 -43.68 95.37 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.551 0.614 . . . . 25.0 111.281 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.417 HD12 HG11 ' A' ' 14' ' ' VAL . 3.7 tt -65.16 -40.4 94.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.943 0.878 . . . . 25.0 109.327 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -68.05 -36.22 79.53 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 121.682 -0.636 . . . . 25.0 111.508 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.0 p -72.17 -28.76 63.43 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.432 -0.507 . . . . 25.0 109.701 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.6 -47.88 81.86 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.463 -1.31 . . . . 25.0 107.463 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.58 -32.95 70.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.907 1.077 . . . . 25.0 113.907 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.79 -27.66 66.07 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -64.91 -43.26 93.41 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.234 -0.292 . . . . 25.0 110.598 171.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.44 -37.03 82.07 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.927 -0.768 . . . . 25.0 108.927 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.03 -47.46 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.34 -51.74 68.17 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.283 0.563 . . . . 25.0 111.188 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.7 p -67.94 -37.24 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 115.664 -0.698 . . . . 25.0 112.027 -175.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.412 ' HB2' ' CE2' ' B' ' 74' ' ' TYR . 72.4 t80 -62.34 -47.19 85.33 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.099 -1.001 . . . . 25.0 110.219 173.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -60.4 -28.02 67.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.512 -0.767 . . . . 25.0 112.32 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.66 95.9 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.735 0.642 . . . . 25.0 112.735 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -93.25 -20.86 20.01 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.767 0.317 . . . . 25.0 111.292 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -65.34 158.3 26.84 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.073 0.768 . . . . 25.0 113.073 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.85 -1.68 21.4 Favored Glycine 0 C--O 1.223 -0.579 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.16 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -66.13 -27.65 68.2 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 120.96 0.409 . . . . 25.0 111.447 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.54 -29.41 52.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.718 0.77 . . . . 25.0 111.678 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.83 -30.91 6.12 Favored Glycine 0 C--O 1.227 -0.323 0 N-CA-C 108.417 -1.873 . . . . 25.0 108.417 -175.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -82.09 133.57 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 104.207 -2.516 . . . . 25.0 104.207 168.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -75.81 -23.82 55.84 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -169.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -103.78 21.45 16.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.355 0.598 . . . . 25.0 109.656 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -122.87 145.57 48.34 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.314 0.578 . . . . 25.0 110.25 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -140.85 135.64 31.57 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 108.075 -1.083 . . . . 25.0 108.075 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.96 150.21 49.01 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.174 -0.61 . . . . 25.0 109.595 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -60.81 -43.52 98.07 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.542 0.941 . . . . 25.0 113.542 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -29.13 69.95 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.512 -0.743 . . . . 25.0 110.599 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -77.08 -24.68 51.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.405 -0.816 . . . . 25.0 108.878 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 tp -71.63 -36.85 70.88 Favored 'General case' 0 CA--C 1.513 -0.461 0 O-C-N 121.879 -0.513 . . . . 25.0 110.285 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.607 ' HB2' HD11 ' B' ' 61' ' ' LEU . 30.9 ttpt -56.2 -33.68 65.55 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 120.767 -0.373 . . . . 25.0 110.902 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.66 -50.21 72.09 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.864 -0.421 . . . . 25.0 109.864 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.31 -45.02 92.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.784 0.802 . . . . 25.0 109.227 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.41 -32.04 73.37 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.339 -0.846 . . . . 25.0 111.592 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -81.68 -22.76 37.25 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 121.893 -0.504 . . . . 25.0 110.832 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.3 m -89.34 -50.44 6.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.765 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -95.43 -42.02 8.69 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 112.962 0.727 . . . . 25.0 112.962 -176.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.535 HD13 HD22 ' A' ' 4' ' ' LEU . 10.5 tp -85.65 9.17 16.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.715 0.769 . . . . 25.0 109.512 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.03 -36.35 17.78 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 115.144 1.535 . . . . 25.0 115.144 173.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.87 -39.33 75.71 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 110.875 -0.89 . . . . 25.0 110.875 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -70.45 -25.46 63.2 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.996 -0.708 . . . . 25.0 109.201 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -74.2 -39.87 62.86 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 122.149 -0.344 . . . . 25.0 110.35 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.02 -35.55 76.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.639 0.733 . . . . 25.0 110.945 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.82 28.32 3.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.806 -0.633 . . . . 25.0 110.305 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -62.94 152.24 37.14 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.372 0.606 . . . . 25.0 110.37 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -131.77 -48.58 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 25.0 109.604 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -83.53 85.91 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.448 -1.315 . . . . 25.0 107.448 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.69 -24.65 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.828 -0.623 . . . . 25.0 111.784 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.65 -52.47 21.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.439 0.638 . . . . 25.0 109.52 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.06 -37.69 78.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.821 -0.627 . . . . 25.0 111.98 -172.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.29 -41.89 89.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.46 -31.91 37.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 121.289 0.566 . . . . 25.0 110.304 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -59.6 -43.16 93.79 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 116.178 -0.465 . . . . 25.0 110.809 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.47 -39.13 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.12 -49.52 60.56 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 115.647 -0.706 . . . . 25.0 112.221 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -36.75 84.41 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 121.132 -0.227 . . . . 25.0 110.638 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.95 -41.8 98.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.808 -0.441 . . . . 25.0 109.808 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.607 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.3 OUTLIER -80.9 -23.33 39.05 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 118.792 -1.163 . . . . 25.0 111.539 179.485 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.9 -28.36 66.11 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.386 0.513 . . . . 25.0 112.386 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -104.2 -20.82 13.67 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.543 0.687 . . . . 25.0 111.169 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -96.43 13.88 26.36 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.682 -0.858 . . . . 25.0 108.682 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.86 -20.87 68.95 Favored Glycine 0 C--O 1.218 -0.897 0 N-CA-C 115.773 1.069 . . . . 25.0 115.773 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.17 2.72 51.52 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.432 0.634 . . . . 25.0 110.164 -172.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.01 -153.25 27.11 Favored Glycine 0 N--CA 1.424 -2.135 0 N-CA-C 105.067 -3.213 . . . . 25.0 105.067 172.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.73 169.59 22.96 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 121.72 -0.871 . . . . 25.0 110.815 -171.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.85 166.38 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 CA-C-N 115.224 -0.898 . . . . 25.0 109.953 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -119.97 -174.31 2.74 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 105.591 -2.004 . . . . 25.0 105.591 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -55.3 -46.9 76.24 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.514 ' O ' HG23 ' B' ' 76' ' ' VAL . 64.5 tt0 -55.73 -44.79 77.88 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.286 0.494 . . . . 25.0 110.899 -178.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -43.71 72.59 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 122.409 1.1 . . . . 25.0 109.113 -174.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.412 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 0.2 OUTLIER -59.92 -39.0 83.99 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 114.744 -1.117 . . . . 25.0 110.004 -177.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.4 t -72.04 -36.12 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 121.173 -0.211 . . . . 25.0 110.862 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 72' ' ' GLN . 73.2 t -58.06 -45.59 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 177.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.7 mt -69.33 -38.39 78.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.215 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.6 -44.75 99.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.44 82.95 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.992 -0.443 . . . . 25.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.24 97.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.39 0.614 . . . . 25.0 110.391 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.44 -34.31 74.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.387 0.613 . . . . 25.0 109.642 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.4 m -64.05 -43.07 96.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.33 -0.395 . . . . 25.0 111.342 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.6 m -72.27 -23.92 21.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 O-C-N 121.134 -0.979 . . . . 25.0 112.226 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.68 0.52 3.14 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 122.231 1.015 . . . . 25.0 111.15 171.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -16.05 58.26 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.126 -1.609 . . . . 25.0 114.87 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -62.47 -21.05 65.17 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.872 0.844 . . . . 25.0 110.491 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -52.01 -15.55 0.57 Allowed 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 115.118 1.525 . . . . 25.0 115.118 172.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -51.2 -21.07 1.83 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.746 1.017 . . . . 25.0 113.746 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -92.47 9.62 33.59 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.767 1.395 . . . . 25.0 114.767 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.48 129.22 19.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.858 0.837 . . . . 25.0 109.747 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -93.87 78.11 4.18 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.492 -0.776 . . . . 25.0 112.968 -177.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 60.1 m . . . . . 0 C--O 1.256 1.44 0 CA-C-O 118.986 -0.53 . . . . 25.0 110.987 176.904 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.134 0 N-CA-C 111.948 -0.461 . . . . 25.0 111.948 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.66 170.55 16.39 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.197 -1.409 . . . . 25.0 107.197 176.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.34 -30.36 71.11 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.446 -0.501 . . . . 25.0 111.02 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.552 HD12 HG11 ' B' ' 14' ' ' VAL . 2.6 tt -64.54 -41.11 96.56 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 122.46 1.124 . . . . 25.0 109.745 177.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -71.07 -36.42 72.26 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.749 -0.659 . . . . 25.0 110.551 -174.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.6 p -74.07 -26.53 60.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 173.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.47 92.78 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 107.856 -1.164 . . . . 25.0 107.856 175.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.5 mmm -70.76 -32.76 70.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.651 0.611 . . . . 25.0 112.651 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.7 -29.6 68.9 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.4 m -64.46 -43.14 95.17 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 174.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.54 -37.81 82.42 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.83 -48.63 85.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.517 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -57.51 -46.95 83.18 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.598 0.714 . . . . 25.0 110.827 -177.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.545 HG11 HD12 ' B' ' 4' ' ' LEU . 71.9 t -61.87 -46.07 97.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.67 -0.696 . . . . 25.0 111.378 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.42 -45.96 92.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.152 0.501 . . . . 25.0 109.731 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -62.7 -27.63 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 124.006 0.922 . . . . 25.0 112.882 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.39 82.55 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -87.53 -21.44 25.44 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.37 0.605 . . . . 25.0 110.115 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.8 t -60.03 147.57 38.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.943 -0.571 . . . . 25.0 110.103 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.93 -22.1 6.11 Favored Glycine 0 C--O 1.223 -0.547 0 C-N-CA 120.925 -0.655 . . . . 25.0 113.448 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -63.16 -32.16 73.49 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.345 0.572 . . . . 25.0 110.048 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -69.57 -29.77 67.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.344 -0.844 . . . . 25.0 111.78 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.88 -30.66 6.48 Favored Glycine 0 C--N 1.32 -0.357 0 N-CA-C 109.55 -1.42 . . . . 25.0 109.55 -174.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -87.71 154.04 20.89 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.038 -1.467 . . . . 25.0 107.038 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -19.17 21.8 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.012 0.375 . . . . 25.0 112.012 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -107.27 8.75 30.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.244 -0.434 . . . . 25.0 111.993 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.91 149.04 52.28 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.967 -0.382 . . . . 25.0 109.967 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 tp -140.16 138.72 35.41 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.53 151.38 46.55 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.849 -0.341 . . . . 25.0 111.472 179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -62.22 -43.96 97.66 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 113.253 0.835 . . . . 25.0 113.253 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -29.08 70.14 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.211 0.914 . . . . 25.0 110.8 -178.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -75.32 -30.4 60.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.217 -0.902 . . . . 25.0 109.099 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.48 HD22 HG21 ' A' ' 69' ' ' VAL . 14.8 tp -65.27 -29.62 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.285 -0.416 . . . . 25.0 111.409 176.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.676 ' HB2' HD11 ' A' ' 61' ' ' LEU . 29.4 ttpt -62.24 -34.76 77.13 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.162 -0.615 . . . . 25.0 109.983 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.34 -46.72 82.23 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.49 -46.94 87.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.398 0.618 . . . . 25.0 109.791 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.96 -29.51 70.67 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.665 0.745 . . . . 25.0 111.948 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -81.69 -22.38 37.47 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.539 0.736 . . . . 25.0 111.893 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.8 m -101.4 -58.77 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.467 0.914 . . . . 25.0 113.467 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -82.71 -33.06 27.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.685 -0.634 . . . . 25.0 111.398 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.41 HD13 HD22 ' B' ' 4' ' ' LEU . 12.1 tp -97.51 9.91 41.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.473 0.654 . . . . 25.0 109.779 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.4 -36.36 21.82 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.381 1.993 . . . . 25.0 116.381 176.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.35 -38.79 62.46 Favored Glycine 0 N--CA 1.459 0.195 0 C-N-CA 120.238 -0.982 . . . . 25.0 110.807 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -69.49 -31.0 69.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.3 tp -69.75 -44.45 70.19 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 123.779 0.674 . . . . 25.0 110.479 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.3 -32.71 74.5 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.569 -0.742 . . . . 25.0 111.346 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.44 30.39 3.23 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 116.151 -0.477 . . . . 25.0 109.833 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.3 156.57 33.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -136.87 -47.25 0.6 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.15 0.5 . . . . 25.0 110.636 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -85.91 80.14 8.99 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.19 -23.55 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.682 -1.145 . . . . 25.0 113.863 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.77 -37.34 73.35 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.707 -0.621 . . . . 25.0 109.663 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.79 -37.64 55.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.905 -0.589 . . . . 25.0 112.235 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -66.38 -37.2 79.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.784 0.802 . . . . 25.0 109.143 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.4 -23.59 40.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 25.0 110.964 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -23.19 64.07 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.854 -0.612 . . . . 25.0 111.207 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.444 HG13 HD22 ' A' ' 77' ' ' LEU . 84.4 t -93.16 -48.86 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.476 -0.49 . . . . 25.0 110.877 173.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.1 mmt -65.73 -53.17 44.36 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 113.694 0.998 . . . . 25.0 113.694 -171.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -33.56 74.5 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.08 -46.02 90.96 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.463 -0.495 . . . . 25.0 110.103 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -79.12 -20.02 49.69 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 119.178 -1.009 . . . . 25.0 111.067 -176.786 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -57.39 -29.93 64.48 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 111.914 0.338 . . . . 25.0 111.914 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -107.66 -20.85 13.09 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.256 0.551 . . . . 25.0 111.69 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -96.5 16.85 17.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.978 0.894 . . . . 25.0 109.802 177.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.16 -18.89 67.6 Favored Glycine 0 C--O 1.218 -0.863 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 -171.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -89.06 8.19 31.08 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.974 0.892 . . . . 25.0 110.167 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.32 -158.12 34.18 Favored Glycine 0 N--CA 1.415 -2.737 0 N-CA-C 104.368 -3.493 . . . . 25.0 104.368 171.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -151.59 169.51 21.94 Favored 'General case' 0 C--N 1.309 -1.158 0 O-C-N 122.11 -0.641 . . . . 25.0 109.954 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.48 HG21 HD22 ' A' ' 33' ' ' LEU . 2.9 m -141.03 167.82 16.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 123.922 0.764 . . . . 25.0 110.338 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -123.8 -174.14 2.91 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.28 -48.17 71.54 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.541 ' HB2' HG11 ' B' ' 83' ' ' VAL . 64.1 tt0 -56.49 -44.65 80.89 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.684 0.674 . . . . 25.0 110.55 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -48.31 69.56 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 122.329 1.061 . . . . 25.0 108.827 -175.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -40.33 86.13 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.634 -1.166 . . . . 25.0 110.773 -176.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 83.0 t -71.39 -37.33 64.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 122.166 -0.334 . . . . 25.0 111.116 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.3 t -58.3 -44.95 89.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 177.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.444 HD22 HG13 ' A' ' 57' ' ' VAL . 32.0 mt -70.27 -36.78 74.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.85 0.357 . . . . 25.0 111.436 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.8 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 176.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.75 -36.03 81.48 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.817 -0.552 . . . . 25.0 110.519 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.64 94.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.222 0.534 . . . . 25.0 110.336 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.04 -34.78 75.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.347 0.594 . . . . 25.0 109.83 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.4 m -64.47 -43.78 93.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.211 -0.45 . . . . 25.0 111.046 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.467 HG11 ' HB2' ' B' ' 72' ' ' GLN . 35.0 m -72.41 -19.0 19.2 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.39 0.68 0.64 Allowed 'General case' 0 CA--C 1.551 0.991 0 CA-C-O 121.973 0.892 . . . . 25.0 111.715 169.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -58.2 -30.46 66.48 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.918 -1.114 . . . . 25.0 111.918 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.48 -27.36 6.42 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -61.18 -24.25 66.17 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -67.5 -18.84 65.2 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.502 -0.749 . . . . 25.0 111.512 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -120.05 5.09 10.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.271 -0.422 . . . . 25.0 111.699 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -137.48 103.22 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.565 0.698 . . . . 25.0 110.775 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -79.92 112.77 17.53 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 C--O 1.246 0.869 0 CA-C-N 115.351 -0.84 . . . . 25.0 109.421 176.386 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 CA-C-O 118.791 -1.005 . . . . 25.0 111.662 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.7 176.8 1.05 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.134 0.967 . . . . 25.0 110.106 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -62.72 -40.18 96.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.963 -0.461 . . . . 25.0 110.265 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.545 HD12 HG11 ' A' ' 14' ' ' VAL . 3.4 tt -63.57 -41.8 98.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.33 1.062 . . . . 25.0 109.991 176.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -69.69 -32.95 71.85 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 121.25 -0.906 . . . . 25.0 111.993 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -75.81 -27.44 57.92 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -45.93 92.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.629 -1.249 . . . . 25.0 107.629 172.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.67 -34.97 72.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -68.2 -28.29 67.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 119.881 -0.728 . . . . 25.0 109.407 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.0 m -63.58 -44.19 94.78 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.755 0.312 . . . . 25.0 110.427 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.64 -37.44 81.52 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.15 -46.51 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 119.389 -0.338 . . . . 25.0 110.253 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -58.76 -46.78 86.7 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.227 0.329 . . . . 25.0 110.667 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.552 HG11 HD12 ' A' ' 4' ' ' LEU . 85.4 t -63.63 -44.35 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 25.0 112.035 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.87 -47.03 86.82 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -61.82 -29.32 70.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.16 97.64 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -92.36 -22.37 19.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.786 0.327 . . . . 25.0 110.989 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.2 t -63.04 154.93 29.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.014 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.16 -15.64 15.65 Favored Glycine 0 C--O 1.223 -0.537 0 N-CA-C 110.977 -0.849 . . . . 25.0 110.977 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -14.18 61.62 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.739 1.015 . . . . 25.0 113.739 -178.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -30.03 32.48 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.507 0.67 . . . . 25.0 110.395 177.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.65 -30.6 4.17 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.857 -176.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -93.47 153.73 18.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.487 -1.672 . . . . 25.0 106.487 164.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -76.51 -26.79 55.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -172.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -103.67 17.57 23.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.351 0.596 . . . . 25.0 110.12 -176.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -125.01 148.94 48.23 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.385 -0.825 . . . . 25.0 110.5 175.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.7 tp -137.85 136.91 37.59 Favored 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.15 148.88 51.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.499 0.59 . . . . 25.0 109.63 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.18 -43.89 95.51 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -26.99 67.16 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.754 0.706 . . . . 25.0 110.679 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -78.8 -23.51 45.12 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.39 -0.823 . . . . 25.0 109.502 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.4 tp -71.31 -28.76 64.33 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.575 -0.703 . . . . 25.0 110.063 173.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.602 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.0 ttpt -60.67 -31.59 70.83 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 120.454 -0.498 . . . . 25.0 109.995 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.8 -49.69 75.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.84 -45.74 93.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.33 -29.34 70.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.552 0.691 . . . . 25.0 111.825 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -81.98 -22.34 36.65 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 123.585 0.754 . . . . 25.0 112.388 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 37.5 m -105.26 -56.52 2.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -172.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -87.99 -24.11 23.63 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.922 -0.486 . . . . 25.0 111.574 -176.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.2 tp -105.11 10.37 33.93 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -51.13 -34.58 31.52 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.814 1.783 . . . . 25.0 115.814 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.35 -36.96 59.23 Favored Glycine 0 C--O 1.222 -0.597 0 C-N-CA 120.322 -0.942 . . . . 25.0 110.768 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.12 -29.63 65.49 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.889 -0.771 . . . . 25.0 109.398 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 25.1 tp -69.93 -43.23 72.04 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.88 -32.27 73.42 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.703 -0.68 . . . . 25.0 111.324 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.12 26.91 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -63.19 154.17 32.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.651 -0.5 . . . . 25.0 109.651 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -135.66 -54.66 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.022 0.439 . . . . 25.0 110.006 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -84.12 83.54 7.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.8 m -63.93 -28.73 45.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.996 -1.002 . . . . 25.0 112.596 -171.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.13 -35.48 80.6 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.14 -38.19 25.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.974 -0.557 . . . . 25.0 112.216 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -65.85 -39.06 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -80.54 -28.4 37.32 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.913 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -36.54 71.61 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 110.211 -0.292 . . . . 25.0 110.211 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.03 -43.04 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.397 0.617 . . . . 25.0 109.507 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.4 mmt -68.74 -50.69 48.58 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 112.482 0.549 . . . . 25.0 112.482 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -35.41 80.64 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.822 -0.351 . . . . 25.0 110.435 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -61.93 -43.85 97.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.72 -0.392 . . . . 25.0 110.348 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.602 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.92 -24.19 48.37 Favored 'General case' 0 C--O 1.206 -1.193 0 C-N-CA 118.879 -1.128 . . . . 25.0 110.437 -178.509 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.65 -25.81 67.61 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 111.963 0.357 . . . . 25.0 111.963 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -102.04 -23.23 14.12 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.375 0.607 . . . . 25.0 110.778 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -96.55 13.94 26.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.554 0.692 . . . . 25.0 109.618 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.7 -23.27 65.04 Favored Glycine 0 C--O 1.221 -0.669 0 N-CA-C 116.371 1.309 . . . . 25.0 116.371 -168.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -88.79 4.89 45.99 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.68 0.753 . . . . 25.0 110.229 -173.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.55 -156.14 31.53 Favored Glycine 0 N--CA 1.417 -2.624 0 N-CA-C 104.314 -3.514 . . . . 25.0 104.314 171.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.44 170.83 18.63 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.975 -0.721 . . . . 25.0 110.536 -173.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.25 165.52 17.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.754 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -123.01 -174.2 2.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 105.796 -1.928 . . . . 25.0 105.796 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -53.47 -48.35 68.96 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.467 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.3 tt0 -55.65 -45.77 77.59 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.315 0.507 . . . . 25.0 110.625 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -46.1 76.34 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-O 122.216 1.007 . . . . 25.0 108.75 -174.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -39.81 86.42 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.808 -1.087 . . . . 25.0 110.722 -177.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -71.04 -36.7 64.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 122.169 -0.332 . . . . 25.0 110.718 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 72' ' ' GLN . 58.4 t -59.52 -44.53 93.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 177.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -69.71 -37.57 76.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.893 0.378 . . . . 25.0 111.138 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.83 -43.91 99.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.9 83.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.038 -0.414 . . . . 25.0 110.567 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.36 90.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.315 0.578 . . . . 25.0 110.51 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.06 -32.33 68.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.655 0.741 . . . . 25.0 110.157 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 42.6 m -65.42 -44.97 85.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.067 -0.515 . . . . 25.0 110.489 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 72' ' ' GLN . 35.8 m -69.67 -22.44 25.13 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 N-CA-C 113.796 1.036 . . . . 25.0 113.796 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.68 -4.11 2.79 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 121.999 0.904 . . . . 25.0 110.82 170.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -66.51 -15.59 63.5 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.539 -1.351 . . . . 25.0 109.374 174.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -52.1 -30.93 28.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.832 -0.622 . . . . 25.0 112.159 174.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -61.94 -20.72 64.11 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 113.213 0.819 . . . . 25.0 113.213 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -63.67 -25.73 68.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.354 -0.841 . . . . 25.0 109.883 176.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -100.79 -1.97 33.51 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.403 0.89 . . . . 25.0 113.403 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -129.63 103.23 6.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -94.68 96.85 9.68 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.884 -1.053 . . . . 25.0 109.897 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.248 0.989 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 178.569 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.865 0 CA-C-O 118.955 -0.914 . . . . 25.0 111.233 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -68.3 168.7 11.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 117.497 0.649 . . . . 25.0 109.822 176.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -62.0 -39.26 91.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.478 HD22 HD13 ' B' ' 41' ' ' LEU . 3.4 tt -64.71 -41.83 95.71 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 121.576 0.703 . . . . 25.0 110.772 177.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.04 -37.2 85.27 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 121.512 -0.743 . . . . 25.0 111.628 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.2 p -76.1 -26.86 56.83 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.7 98.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 172.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.9 mmm -71.92 -31.16 66.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -69.64 -26.55 64.47 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.88 -0.728 . . . . 25.0 109.567 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 m -62.92 -43.53 98.54 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.162 0.506 . . . . 25.0 109.996 172.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.07 -36.57 84.45 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.72 -48.3 85.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -58.93 -50.93 72.18 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.225 0.536 . . . . 25.0 111.698 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.2 p -67.05 -35.96 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-N 115.612 -0.722 . . . . 25.0 112.629 -177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.48 -45.84 92.29 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.94 -1.1 . . . . 25.0 109.479 173.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -74.58 -14.06 60.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.254 1.205 . . . . 25.0 114.254 -175.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.76 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -93.22 -25.24 17.89 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 p -61.66 150.54 36.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.469 0.652 . . . . 25.0 111.489 -174.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.15 1.66 75.44 Favored Glycine 0 C--O 1.224 -0.469 0 C-N-CA 120.56 -0.828 . . . . 25.0 113.031 -175.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -56.55 -35.24 67.89 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.251 0.548 . . . . 25.0 111.352 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -100.02 -13.89 18.87 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.415 1.265 . . . . 25.0 114.415 -175.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.97 -31.2 3.96 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 118.5 2.16 . . . . 25.0 118.5 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -88.13 119.5 28.57 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 104.913 -2.254 . . . . 25.0 104.913 169.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -70.87 -32.21 69.12 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 113.999 1.111 . . . . 25.0 113.999 -168.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' B' ' 89' ' ' PHE . 17.4 m-30 -94.99 14.65 21.08 Favored 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 119.841 -0.744 . . . . 25.0 110.469 -175.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -127.34 158.57 36.91 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.787 -0.642 . . . . 25.0 109.915 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.1 tp -138.94 131.85 29.38 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.344 -1.354 . . . . 25.0 107.344 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.8 OUTLIER -65.99 151.38 46.92 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.428 -0.17 . . . . 25.0 111.068 -179.435 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -63.83 -41.1 97.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -28.56 70.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.748 1.158 . . . . 25.0 110.504 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -80.4 -27.42 38.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.644 0.735 . . . . 25.0 110.428 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.41 HD11 ' HD1' ' A' ' 74' ' ' TYR . 14.9 tp -64.38 -34.3 77.85 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.916 -0.49 . . . . 25.0 110.071 175.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HB2' HD11 ' A' ' 61' ' ' LEU . 6.9 ttpp -56.04 -37.73 69.62 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.22 -0.445 . . . . 25.0 110.865 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.33 -48.42 75.65 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.22 -44.98 96.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.68 -30.5 71.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 25.0 111.731 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.91 -21.69 37.22 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 122.818 0.447 . . . . 25.0 112.102 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.3 m -104.31 -53.87 2.64 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 -173.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -89.95 -22.24 22.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.426 HD13 HD22 ' B' ' 4' ' ' LEU . 14.4 tp -109.42 10.35 25.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.733 -0.84 . . . . 25.0 108.733 176.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.94 -40.01 13.41 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 115.239 1.57 . . . . 25.0 115.239 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.29 80.02 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.102 -1.047 . . . . 25.0 113.397 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.2 m-30 -82.55 -29.58 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.711 -0.876 . . . . 25.0 108.929 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.0 tp -69.55 -42.3 74.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.973 0.416 . . . . 25.0 110.135 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.06 -35.23 79.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.606 0.717 . . . . 25.0 110.726 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.43 28.43 3.72 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.984 -0.553 . . . . 25.0 110.807 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.23 155.44 24.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.161 0.505 . . . . 25.0 110.667 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -128.61 -48.48 1.27 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.065 -0.717 . . . . 25.0 109.065 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -81.01 90.11 5.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 25.0 110.59 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.5 m -67.18 -23.54 30.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.673 -0.694 . . . . 25.0 111.743 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -78.15 -41.0 36.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.076 0.465 . . . . 25.0 110.289 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.47 -39.92 44.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.43 -37.68 80.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.036 -0.727 . . . . 25.0 109.036 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.62 -27.78 40.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.877 -0.601 . . . . 25.0 110.629 -176.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -60.0 -37.29 79.26 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.858 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.413 HG13 HD22 ' A' ' 77' ' ' LEU . 78.1 t -70.92 -44.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.844 0.83 . . . . 25.0 109.516 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.6 mmt -69.53 -45.96 67.61 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.8 -174.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -36.09 82.54 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.589 -0.152 . . . . 25.0 110.589 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -62.09 -46.92 86.93 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -79.41 -19.55 49.74 Favored 'General case' 0 C--O 1.208 -1.123 0 C-N-CA 119.672 -0.811 . . . . 25.0 110.55 -174.219 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.31 -30.62 71.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.408 0.623 . . . . 25.0 110.274 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -98.29 -28.19 13.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.705 0.764 . . . . 25.0 110.307 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -98.37 17.17 19.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.365 -0.834 . . . . 25.0 111.584 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.73 -19.33 62.8 Favored Glycine 0 CA--C 1.502 -0.72 0 CA-C-O 121.389 0.438 . . . . 25.0 114.019 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -84.36 -4.49 58.92 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.741 0.782 . . . . 25.0 109.639 -173.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.59 -162.0 37.88 Favored Glycine 0 N--CA 1.423 -2.214 0 N-CA-C 106.506 -2.637 . . . . 25.0 106.506 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 18.2 pt-20 -150.23 165.58 32.52 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.152 -1.024 . . . . 25.0 109.443 -175.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.22 167.68 22.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.087 -0.96 . . . . 25.0 108.906 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -119.52 -174.15 2.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 104.921 -2.251 . . . . 25.0 104.921 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -52.89 -46.43 67.97 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 113.045 0.757 . . . . 25.0 113.045 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.499 ' HB2' HG11 ' B' ' 83' ' ' VAL . 62.4 tt0 -55.22 -49.7 71.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.492 0.587 . . . . 25.0 111.033 -177.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -73.18 -38.22 66.24 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 121.614 0.721 . . . . 25.0 109.627 -172.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.41 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -59.21 -41.37 88.42 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.575 -0.739 . . . . 25.0 109.809 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.3 t -71.49 -36.78 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 122.176 -0.328 . . . . 25.0 111.134 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.67 -44.34 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.413 HD22 HG13 ' A' ' 57' ' ' VAL . 25.1 mt -71.5 -35.54 70.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.309 -178.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.04 -43.64 97.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 175.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.3 83.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.955 -0.466 . . . . 25.0 110.915 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.54 99.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.313 0.578 . . . . 25.0 109.905 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -34.89 75.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.52 0.676 . . . . 25.0 109.976 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.8 m -63.32 -41.67 98.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.819 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.1 m -76.35 -23.98 15.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 O-C-N 121.042 -1.036 . . . . 25.0 111.956 177.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.16 -29.56 70.4 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 122.433 1.111 . . . . 25.0 108.697 172.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -69.48 -14.25 62.77 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.57 -1.331 . . . . 25.0 113.174 -177.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -51.49 -16.21 0.55 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 114.942 1.46 . . . . 25.0 114.942 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -52.54 -15.95 0.8 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 173.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -57.7 -28.85 64.19 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.919 0.488 . . . . 25.0 111.664 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -102.61 20.23 17.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.018 0.437 . . . . 25.0 111.559 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -142.28 -177.46 5.26 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 104.136 -2.542 . . . . 25.0 104.136 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -94.76 78.03 3.69 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 C--O 1.252 1.212 0 O-C-N 124.148 0.905 . . . . 25.0 110.096 -175.59 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.12 0 CA-C-O 119.035 -0.87 . . . . 25.0 111.233 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -70.26 175.41 4.65 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.72 -0.845 . . . . 25.0 108.72 173.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -61.58 -34.58 75.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.355 0.598 . . . . 25.0 109.735 176.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.426 HD22 HD13 ' A' ' 41' ' ' LEU . 3.3 tt -68.14 -41.76 81.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.196 0.522 . . . . 25.0 110.738 178.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.41 -40.18 95.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.464 -0.773 . . . . 25.0 110.683 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.9 p -71.51 -27.92 63.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.654 -0.418 . . . . 25.0 110.622 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.68 97.24 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.3 mmm -71.15 -31.98 68.37 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -67.71 -28.44 67.66 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.603 -0.686 . . . . 25.0 109.521 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.0 m -63.77 -43.19 97.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.092 0.472 . . . . 25.0 110.398 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.09 -37.78 88.69 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.06 -0.719 . . . . 25.0 109.06 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.26 -47.48 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.052 -0.722 . . . . 25.0 109.052 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -57.41 -50.8 71.84 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -70.92 -35.16 58.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 N-CA-C 112.661 0.615 . . . . 25.0 112.661 -175.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.78 -45.83 91.07 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.264 -0.897 . . . . 25.0 109.448 173.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -73.43 -14.1 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.12 1.156 . . . . 25.0 114.12 -175.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.51 94.86 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 175.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -94.08 -19.88 20.43 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.9 p -62.03 163.79 7.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.56 -8.87 71.62 Favored Glycine 0 C--O 1.221 -0.671 0 C-N-CA 120.923 -0.656 . . . . 25.0 112.787 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -64.82 -31.34 72.52 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 117.102 0.451 . . . . 25.0 110.905 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -74.94 -26.24 59.46 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.618 0.723 . . . . 25.0 111.157 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.75 -30.97 4.06 Favored Glycine 0 C--O 1.229 -0.183 0 CA-C-N 115.693 -0.685 . . . . 25.0 112.006 -177.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -99.69 129.88 45.86 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.015 -1.476 . . . . 25.0 107.015 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -75.16 -17.33 60.42 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 114.121 1.156 . . . . 25.0 114.121 -173.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -90.42 4.42 51.0 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -129.22 156.7 43.53 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.243 0.544 . . . . 25.0 111.975 -176.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.6 tp -141.13 135.63 31.09 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 108.141 -1.059 . . . . 25.0 108.141 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 1.0 OUTLIER -63.86 147.93 50.65 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 -179.585 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -63.65 -48.58 76.66 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.472 -0.767 . . . . 25.0 112.508 -177.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.462 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.88 -33.58 67.01 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.429 0.529 . . . . 25.0 112.429 176.488 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.05 -30.69 62.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.625 0.726 . . . . 25.0 110.875 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.2 -28.8 70.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.041 -0.527 . . . . 25.0 111.635 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.528 ' HB2' HD11 ' B' ' 61' ' ' LEU . 36.4 ttpt -61.89 -37.12 83.38 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 120.702 -0.399 . . . . 25.0 110.381 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.25 -44.11 84.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.27 -45.85 92.79 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.023 -0.535 . . . . 25.0 109.836 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.73 -29.46 70.68 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 121.4 0.619 . . . . 25.0 111.893 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -81.93 -20.55 38.44 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.014 0.526 . . . . 25.0 111.2 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -99.24 -55.27 2.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.739 -0.664 . . . . 25.0 111.95 -177.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -88.83 -18.65 27.21 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.478 HD13 HD22 ' A' ' 4' ' ' LEU . 8.4 tp -117.12 13.09 14.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.501 0.667 . . . . 25.0 109.791 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.54 -37.27 11.84 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 115.209 1.559 . . . . 25.0 115.209 175.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.95 -28.95 71.16 Favored Glycine 0 C--O 1.226 -0.391 0 C-N-CA 120.833 -0.699 . . . . 25.0 112.49 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -78.78 -26.83 44.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.687 -0.89 . . . . 25.0 108.741 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.43 -40.14 70.59 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.444 -0.576 . . . . 25.0 109.444 175.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.49 -33.15 74.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.455 0.645 . . . . 25.0 111.512 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.21 25.85 8.38 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.979 -0.555 . . . . 25.0 111.124 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -63.32 151.6 40.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.077 0.465 . . . . 25.0 109.963 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -127.44 -49.2 1.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.712 -0.848 . . . . 25.0 108.712 177.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -88.25 91.58 8.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.754 -0.657 . . . . 25.0 109.824 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.92 -30.28 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.647 -0.706 . . . . 25.0 111.504 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.56 -38.63 84.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.494 0.664 . . . . 25.0 110.103 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.61 -39.61 36.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.97 -0.559 . . . . 25.0 111.737 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.07 -39.21 79.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.803 -0.443 . . . . 25.0 109.803 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -79.45 -26.79 41.68 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 116.38 -0.373 . . . . 25.0 110.564 -176.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -55.83 -43.26 76.83 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.55 -43.5 90.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.56 0.695 . . . . 25.0 109.666 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.9 mmt -69.05 -49.21 59.5 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.79 -0.641 . . . . 25.0 112.211 -175.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -37.2 86.01 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 121.005 -0.278 . . . . 25.0 110.576 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.99 -46.1 90.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.92 -21.59 50.91 Favored 'General case' 0 C--O 1.209 -1.068 0 C-N-CA 119.133 -1.027 . . . . 25.0 110.492 -175.515 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.28 -27.87 69.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.305 0.574 . . . . 25.0 110.365 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -101.28 -22.73 14.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.535 0.684 . . . . 25.0 110.528 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -95.81 16.53 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.902 -0.59 . . . . 25.0 109.56 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.4 20.34 2.72 Favored Glycine 0 C--O 1.218 -0.855 0 CA-C-O 121.636 0.576 . . . . 25.0 113.623 -176.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -100.94 -30.11 11.83 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 174.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.38 -152.31 27.13 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 122.812 1.229 . . . . 25.0 114.649 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.461 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 9.8 pt-20 -148.78 171.11 16.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 113.598 -1.301 . . . . 25.0 110.376 -170.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 m -141.09 170.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.088 -0.96 . . . . 25.0 108.749 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -117.85 -174.12 2.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 105.734 -1.95 . . . . 25.0 105.734 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.52 -46.9 70.27 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 113.063 0.764 . . . . 25.0 113.063 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.448 ' O ' HG23 ' B' ' 76' ' ' VAL . 65.7 tt0 -54.69 -48.93 71.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 118.143 0.429 . . . . 25.0 111.0 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.38 -36.34 66.05 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.568 0.699 . . . . 25.0 109.785 -172.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -40.02 89.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.796 -0.638 . . . . 25.0 109.342 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 86.4 t -72.63 -35.89 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.257 -0.277 . . . . 25.0 110.985 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 72' ' ' GLN . 57.7 t -57.71 -44.97 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 176.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.4 mt -70.9 -37.03 72.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.353 -0.385 . . . . 25.0 111.411 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.23 -44.42 99.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.38 -37.61 87.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.098 -0.376 . . . . 25.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.29 97.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.28 0.562 . . . . 25.0 110.448 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.14 -36.56 77.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.453 0.644 . . . . 25.0 109.581 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -61.71 -43.4 98.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.152 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.499 HG11 ' HB2' ' A' ' 72' ' ' GLN . 23.3 m -71.65 -23.96 22.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 119.317 0.962 . . . . 25.0 113.195 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.47 -20.42 66.35 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.575 0.703 . . . . 25.0 110.005 174.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.435 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 72.9 m-20 -69.39 -15.46 63.31 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.067 -1.646 . . . . 25.0 114.231 -176.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -58.11 -20.88 43.49 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.623 0.647 . . . . 25.0 110.424 177.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -56.09 -15.85 4.23 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 113.941 1.089 . . . . 25.0 113.941 171.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.401 ' HB3' ' CE2' ' A' ' 26' ' ' TYR . 21.8 m-30 -63.77 -19.06 64.68 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 120.794 -1.191 . . . . 25.0 112.119 177.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -93.75 2.15 56.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.774 0.321 . . . . 25.0 111.092 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -120.39 103.31 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.693 0.759 . . . . 25.0 109.032 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.46 77.85 8.0 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.55 -0.738 . . . . 25.0 109.615 177.633 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.287 0 CA-C-O 119.509 -0.606 . . . . 25.0 111.767 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -76.27 175.44 9.06 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.86 -29.39 69.83 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 120.552 -0.459 . . . . 25.0 109.965 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.542 HD12 HG11 ' B' ' 14' ' ' VAL . 1.5 tt -66.52 -42.93 86.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.46 0.648 . . . . 25.0 109.662 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.73 -42.16 97.95 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.596 -0.69 . . . . 25.0 110.005 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 p -71.5 -27.25 63.09 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.568 -0.453 . . . . 25.0 110.632 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.39 87.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -71.66 -30.57 65.88 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.49 0.552 . . . . 25.0 112.49 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -70.26 -27.45 64.45 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 m -65.85 -42.98 89.8 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.86 -35.07 75.65 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.789 -0.819 . . . . 25.0 108.789 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -67.13 -45.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.62 -50.53 73.49 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.332 0.587 . . . . 25.0 110.342 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.435 HG11 HD12 ' B' ' 4' ' ' LEU . 73.0 t -62.49 -42.78 97.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.322 -0.854 . . . . 25.0 111.151 -178.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.42 -48.38 81.45 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.758 -0.589 . . . . 25.0 110.859 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -64.85 -23.3 67.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.753 0.279 . . . . 25.0 111.753 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.04 79.07 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.879 0.326 . . . . 25.0 111.879 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -102.43 -17.25 15.9 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.901 0.382 . . . . 25.0 111.08 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.3 m -70.89 155.32 40.95 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 121.886 0.85 . . . . 25.0 111.789 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.1 -7.91 62.66 Favored Glycine 0 C--O 1.223 -0.555 0 N-CA-C 109.53 -1.428 . . . . 25.0 109.53 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -27.75 68.27 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 108.331 -0.989 . . . . 25.0 108.331 173.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -75.42 -28.59 59.46 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.258 -0.883 . . . . 25.0 111.268 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.25 -30.49 5.4 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 115.567 -0.742 . . . . 25.0 111.26 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -99.62 132.68 44.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 106.422 -1.695 . . . . 25.0 106.422 173.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -70.02 -19.51 63.31 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.216 1.191 . . . . 25.0 114.216 -172.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -94.62 4.86 53.31 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.347 -0.22 . . . . 25.0 110.624 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -126.23 148.23 49.51 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.762 0.791 . . . . 25.0 111.387 -176.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.66 133.14 31.98 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 106.314 -1.736 . . . . 25.0 106.314 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.456 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -64.09 147.63 51.74 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 121.071 -0.252 . . . . 25.0 110.787 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -60.32 -51.45 69.45 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.398 -0.814 . . . . 25.0 112.981 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -30.76 68.17 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -78.19 -23.75 47.46 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.486 -0.325 . . . . 25.0 110.827 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.499 HD11 ' HD1' ' A' ' 74' ' ' TYR . 37.3 tp -69.81 -26.43 64.24 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 121.482 -0.761 . . . . 25.0 110.212 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.646 ' HB2' HD11 ' A' ' 61' ' ' LEU . 33.7 ttpt -61.69 -32.36 72.55 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 120.282 -0.567 . . . . 25.0 109.63 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.97 -47.58 85.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.64 -44.02 97.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.195 0.522 . . . . 25.0 109.835 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.75 -28.68 69.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.668 0.747 . . . . 25.0 111.721 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -81.89 -22.42 36.88 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 123.5 0.72 . . . . 25.0 111.484 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.1 m -101.78 -59.69 1.66 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.466 0.913 . . . . 25.0 113.466 -173.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.3 -43.15 19.54 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 122.021 0.915 . . . . 25.0 110.372 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tp -89.29 11.41 19.03 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.915 -1.039 . . . . 25.0 109.715 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -52.5 -37.33 57.16 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 115.381 1.623 . . . . 25.0 115.381 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.58 -37.79 52.23 Favored Glycine 0 C--O 1.226 -0.39 0 N-CA-C 110.057 -1.217 . . . . 25.0 110.057 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -66.88 -26.21 66.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.247 -0.476 . . . . 25.0 110.437 176.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.2 tp -78.43 -44.51 24.57 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.431 0.692 . . . . 25.0 110.617 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -65.73 -30.65 71.35 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.766 -0.652 . . . . 25.0 111.848 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.1 21.89 4.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.108 -0.37 . . . . 25.0 110.179 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.72 152.63 30.57 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.193 0.52 . . . . 25.0 110.133 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -133.62 -48.9 0.83 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.383 0.611 . . . . 25.0 109.619 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -83.53 82.08 8.45 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.4 m -63.28 -22.7 31.42 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 115.325 -0.852 . . . . 25.0 112.115 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.33 -43.13 67.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.569 -0.53 . . . . 25.0 109.569 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.51 -34.7 60.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.386 0.513 . . . . 25.0 112.386 -174.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.41 -36.68 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -79.99 -23.99 41.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.588 -0.733 . . . . 25.0 110.952 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.45 -23.44 64.44 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 116.558 -0.292 . . . . 25.0 110.98 174.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.1 t -92.9 -48.4 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.762 0.791 . . . . 25.0 110.406 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.1 mmt -68.22 -52.8 30.14 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 -173.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -35.98 82.15 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -58.88 -49.29 78.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.447 -0.501 . . . . 25.0 109.932 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.74 -21.0 48.65 Favored 'General case' 0 C--O 1.206 -1.217 0 C-N-CA 119.153 -1.019 . . . . 25.0 109.852 -174.183 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.62 -25.08 66.42 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 122.1 -0.375 . . . . 25.0 110.492 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -100.18 -27.05 13.72 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.509 0.671 . . . . 25.0 110.531 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -95.19 19.74 10.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.937 0.875 . . . . 25.0 109.278 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.9 32.29 2.72 Favored Glycine 0 C--O 1.216 -1.003 0 CA-C-N 115.326 -0.852 . . . . 25.0 112.758 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -115.88 -7.82 11.98 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 120.616 0.246 . . . . 25.0 111.173 171.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.43 -156.46 30.37 Favored Glycine 0 N--CA 1.435 -1.399 0 CA-C-O 122.964 1.314 . . . . 25.0 110.611 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -149.61 159.27 44.46 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 113.186 -1.507 . . . . 25.0 108.993 -174.693 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.07 170.5 16.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 123.386 0.674 . . . . 25.0 110.521 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -119.53 -174.13 2.67 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -53.57 -47.75 69.81 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 113.183 0.808 . . . . 25.0 113.183 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.529 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.4 tt0 -55.01 -45.25 75.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 118.082 0.401 . . . . 25.0 110.629 -177.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.03 -42.88 65.82 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 122.018 0.913 . . . . 25.0 109.891 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.499 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -57.17 -40.79 77.99 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.902 -1.044 . . . . 25.0 110.477 -179.648 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.7 t -71.9 -36.91 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 122.252 -0.28 . . . . 25.0 111.004 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.31 -45.25 93.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 177.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.1 mt -68.39 -37.86 80.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.185 0.517 . . . . 25.0 110.846 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.7 t -63.35 -43.8 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.292 -0.413 . . . . 25.0 110.051 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.31 86.25 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.999 -0.438 . . . . 25.0 110.566 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.33 96.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.376 0.608 . . . . 25.0 110.046 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.56 -37.94 80.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.351 0.596 . . . . 25.0 109.952 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.3 m -60.73 -47.91 84.18 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.389 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.536 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.3 m -64.54 -23.58 33.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 N-CA-C 113.207 0.818 . . . . 25.0 113.207 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.73 -4.93 0.5 Allowed 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 113.293 0.849 . . . . 25.0 113.293 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -15.71 60.8 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.217 -1.552 . . . . 25.0 112.304 -176.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -43.29 -31.56 0.65 Allowed 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 116.201 1.926 . . . . 25.0 116.201 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -58.79 -25.35 63.02 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.343 0.868 . . . . 25.0 113.343 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -66.69 -22.18 66.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.368 0.604 . . . . 25.0 110.689 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -111.39 13.07 21.55 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.796 -0.638 . . . . 25.0 111.067 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -109.93 103.84 12.67 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 122.319 1.057 . . . . 25.0 110.19 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -87.0 90.38 8.33 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.893 -1.048 . . . . 25.0 109.827 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.6 p . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.229 -1.367 . . . . 25.0 110.548 176.877 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 119.549 -0.584 . . . . 25.0 111.747 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.34 174.65 3.16 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 173.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.37 -44.04 95.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.198 0.523 . . . . 25.0 111.518 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.435 HD12 HG11 ' A' ' 14' ' ' VAL . 2.7 tt -66.02 -39.9 90.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.011 0.91 . . . . 25.0 109.576 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -65.76 -38.42 89.03 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 121.832 -0.542 . . . . 25.0 111.126 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.2 p -71.8 -27.97 63.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.464 -0.495 . . . . 25.0 110.111 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.68 89.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -71.8 -31.46 66.59 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.98 -27.24 64.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.0 m -64.29 -43.04 96.01 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.981 0.42 . . . . 25.0 110.179 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.32 -35.52 77.62 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.701 -0.481 . . . . 25.0 109.701 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -65.52 -45.49 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -57.61 -50.13 74.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 25.0 110.526 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.542 HG11 HD12 ' A' ' 4' ' ' LEU . 89.0 t -62.66 -43.1 98.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.411 -0.813 . . . . 25.0 111.754 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -61.92 -46.99 86.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.839 -0.538 . . . . 25.0 110.415 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -67.08 -25.42 66.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.394 -0.366 . . . . 25.0 111.829 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.92 80.38 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.184 0.438 . . . . 25.0 112.184 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -99.41 -10.63 21.98 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 120.817 0.341 . . . . 25.0 110.879 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.2 m -65.98 156.75 32.68 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.924 0.868 . . . . 25.0 111.155 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.82 -11.19 62.58 Favored Glycine 0 CA--C 1.507 -0.439 0 CA-C-N 115.087 -0.961 . . . . 25.0 111.55 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -32.99 72.85 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -80.54 -24.79 39.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 122.06 0.933 . . . . 25.0 111.519 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.52 -30.31 4.28 Favored Glycine 0 C--O 1.241 0.591 0 CA-C-N 115.417 -0.81 . . . . 25.0 113.602 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -94.78 142.65 27.22 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 118.141 0.971 . . . . 25.0 110.552 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.27 -25.85 51.85 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 113.655 0.984 . . . . 25.0 113.655 -166.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -101.17 12.13 38.14 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -131.44 153.79 49.36 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.939 -0.573 . . . . 25.0 110.397 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.19 138.07 41.54 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 106.406 -1.701 . . . . 25.0 106.406 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -65.9 152.58 44.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -179.322 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -65.5 -52.02 55.8 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.215 0.916 . . . . 25.0 112.142 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -30.84 64.66 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.627 -0.67 . . . . 25.0 112.062 177.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -81.03 -23.53 38.54 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 121.218 0.532 . . . . 25.0 111.192 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.412 HD11 ' HD1' ' B' ' 74' ' ' TYR . 15.3 tp -66.48 -31.36 72.04 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 121.465 -0.772 . . . . 25.0 109.96 175.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.667 ' HB2' HD11 ' B' ' 61' ' ' LEU . 34.5 ttpt -60.12 -32.65 71.2 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.497 178.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -66.18 -48.72 69.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.33 -45.56 91.03 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.51 -30.18 71.09 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.06 -0.518 . . . . 25.0 111.579 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -81.47 -21.76 38.52 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 113.253 0.835 . . . . 25.0 113.253 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 35.5 m -100.75 -48.66 4.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.568 -1.651 . . . . 25.0 111.986 -173.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -94.18 -39.99 10.26 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.425 HD13 HD22 ' A' ' 4' ' ' LEU . 12.0 tp -90.57 10.61 24.84 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.298 1.047 . . . . 25.0 108.477 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -37.36 27.8 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 115.624 1.713 . . . . 25.0 115.624 177.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.98 -29.24 73.41 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 118.543 0.61 . . . . 25.0 112.173 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -80.7 -28.09 36.77 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.887 -0.773 . . . . 25.0 109.355 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.29 -40.8 77.49 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.259 0.349 . . . . 25.0 110.353 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.84 -35.6 81.12 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.894 0.854 . . . . 25.0 110.605 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.86 38.32 1.95 Allowed 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.532 -0.758 . . . . 25.0 109.888 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -71.28 157.6 37.83 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -135.36 -42.94 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -85.11 89.84 7.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 30.0 m -67.6 -22.12 28.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.844 -0.616 . . . . 25.0 111.944 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.73 -46.58 21.38 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.07 64.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -176.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.72 -37.8 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.31 -31.08 38.23 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.903 -0.589 . . . . 25.0 110.786 -174.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -64.08 -33.86 76.72 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.5 t -69.18 -40.66 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.9 mmt -70.21 -48.48 56.87 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 115.03 -0.986 . . . . 25.0 111.624 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -37.08 86.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.266 -0.272 . . . . 25.0 110.266 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -59.52 -48.55 81.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.72 -20.5 53.44 Favored 'General case' 0 C--O 1.212 -0.898 0 C-N-CA 118.854 -1.138 . . . . 25.0 110.082 -173.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.7 -25.01 65.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.902 0.382 . . . . 25.0 110.617 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -101.31 -25.71 13.87 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.167 0.508 . . . . 25.0 110.292 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -94.88 25.34 4.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.104 -1.072 . . . . 25.0 108.104 174.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.77 29.9 4.0 Favored Glycine 0 C--O 1.224 -0.473 0 CA-C-O 122.206 0.892 . . . . 25.0 110.902 -177.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -104.53 -29.88 10.38 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.979 -0.61 . . . . 25.0 110.497 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -101.08 -149.44 23.06 Favored Glycine 0 N--CA 1.437 -1.273 0 CA-C-O 122.349 0.972 . . . . 25.0 114.271 -173.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.452 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 10.9 pt-20 -149.72 156.49 41.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.217 -0.992 . . . . 25.0 110.616 -171.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -128.58 174.13 12.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.313 -0.858 . . . . 25.0 110.56 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -124.04 -174.47 3.0 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -52.38 -47.88 65.93 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 113.293 0.849 . . . . 25.0 113.293 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.536 ' HB2' HG11 ' A' ' 83' ' ' VAL . 64.5 tt0 -55.46 -46.95 76.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.421 0.555 . . . . 25.0 111.442 -177.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -42.84 70.37 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 122.184 0.993 . . . . 25.0 109.156 -173.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.412 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -59.56 -40.11 86.2 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.01 -0.995 . . . . 25.0 110.611 -179.202 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.2 t -71.45 -36.47 60.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 121.113 -0.235 . . . . 25.0 110.856 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 72' ' ' GLN . 61.8 t -58.52 -46.02 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.8 mt -69.98 -37.19 75.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.923 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 t -62.8 -43.54 98.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.14 84.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.056 -0.403 . . . . 25.0 110.728 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.78 98.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.27 0.557 . . . . 25.0 110.284 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.87 -34.34 73.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.352 0.596 . . . . 25.0 109.811 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 88.7 m -62.95 -42.4 99.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.032 -0.418 . . . . 25.0 111.428 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.529 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.8 m -72.49 -26.35 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 119.412 1.005 . . . . 25.0 111.346 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.62 -21.68 65.38 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 122.147 0.975 . . . . 25.0 110.002 173.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -77.28 -14.94 59.65 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.142 1.377 . . . . 25.0 112.628 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -42.43 -16.19 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 121.022 3.712 . . . . 25.0 121.022 -171.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -15.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 118.353 2.723 . . . . 25.0 118.353 -172.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -51.65 -31.84 27.05 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.39 0.996 . . . . 25.0 110.94 172.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -95.85 16.63 17.09 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -114.78 111.23 20.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.811 0.815 . . . . 25.0 109.553 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -76.68 86.8 3.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.338 -0.847 . . . . 25.0 110.195 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 44.3 m . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.402 -0.809 . . . . 25.0 109.966 176.323 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.803 0 CA-C-O 118.509 -1.162 . . . . 25.0 111.396 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m -64.96 171.21 3.67 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 117.88 0.84 . . . . 25.0 108.903 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -35.33 78.07 Favored 'General case' 0 C--O 1.214 -0.813 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.096 177.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.609 HD22 HD13 ' B' ' 41' ' ' LEU . 2.5 tt -66.58 -42.3 87.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.349 0.595 . . . . 25.0 110.612 177.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -64.97 -41.65 95.27 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.707 -0.621 . . . . 25.0 110.684 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.3 p -74.0 -28.46 61.46 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.081 -0.34 . . . . 25.0 110.081 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -47.15 86.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.037 -1.097 . . . . 25.0 108.037 175.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.7 mmm -69.71 -32.27 70.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.876 -0.515 . . . . 25.0 111.985 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -67.46 -31.0 70.86 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 m -63.76 -43.4 96.55 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 174.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.74 -37.25 85.83 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.03 -48.26 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.427 -0.583 . . . . 25.0 109.427 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -59.81 -49.52 77.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.848 0.356 . . . . 25.0 111.601 -177.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 p -69.34 -34.59 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 122.31 -0.244 . . . . 25.0 110.854 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -61.12 -46.74 89.34 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.432 -0.793 . . . . 25.0 110.07 172.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -63.08 -30.68 71.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 25.0 111.588 -177.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.2 -39.01 77.88 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -95.06 -13.84 24.81 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.747 0.277 . . . . 25.0 111.747 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 m -70.89 161.47 30.97 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.601 0.963 . . . . 25.0 113.601 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.9 -10.58 29.67 Favored Glycine 0 N--CA 1.475 1.279 0 N-CA-C 110.222 -1.151 . . . . 25.0 110.222 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -61.88 -39.81 93.22 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 109.845 -0.428 . . . . 25.0 109.845 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -96.06 41.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 123.292 1.52 . . . . 25.0 114.412 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.31 -30.92 3.58 Favored Glycine 0 C--N 1.308 -0.975 0 N-CA-C 117.541 1.776 . . . . 25.0 117.541 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -122.07 147.1 46.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 118.058 0.929 . . . . 25.0 113.211 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HG3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -61.14 -24.12 66.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 115.782 1.771 . . . . 25.0 115.782 -174.577 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -105.53 15.28 27.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 118.192 0.451 . . . . 25.0 110.75 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -124.56 138.85 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.689 0.757 . . . . 25.0 111.539 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.52 134.37 48.66 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.16 153.68 42.83 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 119.548 -0.861 . . . . 25.0 109.652 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -64.06 -43.62 94.92 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 113.422 0.897 . . . . 25.0 113.422 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -30.57 71.65 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.446 1.021 . . . . 25.0 110.189 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -77.99 -27.77 49.15 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.353 -0.839 . . . . 25.0 110.169 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.409 HD22 HG21 ' A' ' 69' ' ' VAL . 18.2 tp -63.7 -33.58 75.95 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 121.919 -0.488 . . . . 25.0 110.67 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.578 ' HB2' HD11 ' A' ' 61' ' ' LEU . 33.7 ttpt -60.5 -32.41 71.42 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 120.729 -0.389 . . . . 25.0 110.743 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.25 -48.73 76.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.18 -46.21 90.48 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.119 -0.697 . . . . 25.0 109.119 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.68 -31.08 72.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 25.0 111.892 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -81.98 -22.4 36.62 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 122.876 0.471 . . . . 25.0 111.874 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.0 m -97.88 -59.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.581 0.586 . . . . 25.0 112.581 -175.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -85.94 -25.56 26.01 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.391 0.515 . . . . 25.0 112.391 -174.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.501 HD13 HD22 ' B' ' 4' ' ' LEU . 11.9 tp -103.56 10.76 36.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 176.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -48.02 -39.15 18.89 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.677 1.732 . . . . 25.0 115.677 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.27 65.02 Favored Glycine 0 C--N 1.324 -0.098 0 N-CA-C 110.7 -0.96 . . . . 25.0 110.7 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -70.03 -32.66 70.9 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.778 -0.837 . . . . 25.0 108.906 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -41.95 76.45 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 120.782 0.325 . . . . 25.0 110.889 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.69 -35.77 80.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.666 0.746 . . . . 25.0 111.004 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.8 29.08 3.53 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.76 -0.655 . . . . 25.0 110.156 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.4 153.18 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -126.4 -50.23 1.53 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -86.01 82.12 8.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.867 0.841 . . . . 25.0 109.208 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.41 -23.03 32.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 114.909 -1.041 . . . . 25.0 113.452 -174.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.32 -42.94 61.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.31 0.576 . . . . 25.0 109.703 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.77 62.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.875 -174.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -64.6 -37.9 81.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -77.42 -28.05 52.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.485 -0.78 . . . . 25.0 111.814 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -55.75 -39.96 71.9 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 122.353 -0.217 . . . . 25.0 110.994 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.8 t -74.26 -45.62 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.367 0.603 . . . . 25.0 110.105 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -67.72 -47.18 70.09 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 -173.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -65.77 -35.3 80.33 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.774 -0.371 . . . . 25.0 110.523 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -47.55 81.62 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 177.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -76.48 -20.47 56.96 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 119.704 -0.798 . . . . 25.0 109.721 -172.052 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -24.67 67.91 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.508 -0.477 . . . . 25.0 111.099 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -102.83 -27.44 12.66 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.627 0.727 . . . . 25.0 111.237 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -97.11 13.97 27.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.524 -0.762 . . . . 25.0 110.871 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.41 -19.53 62.3 Favored Glycine 0 C--O 1.219 -0.798 0 N-CA-C 114.958 0.743 . . . . 25.0 114.958 -171.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -87.29 3.84 45.15 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.842 0.829 . . . . 25.0 109.886 -172.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.34 -158.44 34.07 Favored Glycine 0 N--CA 1.421 -2.335 0 N-CA-C 106.402 -2.679 . . . . 25.0 106.402 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.74 165.43 35.34 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.817 -0.692 . . . . 25.0 109.86 -174.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.409 HG21 HD22 ' A' ' 33' ' ' LEU . 2.5 m -140.2 167.65 18.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.068 -0.969 . . . . 25.0 109.214 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -123.06 -174.17 2.88 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 105.491 -2.04 . . . . 25.0 105.491 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -52.37 -46.96 66.42 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' HB2' HG11 ' B' ' 83' ' ' VAL . 59.1 tt0 -55.11 -48.12 74.05 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.517 0.599 . . . . 25.0 111.064 -178.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -73.02 -40.83 64.84 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-O 121.873 0.844 . . . . 25.0 108.861 -171.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -42.36 86.91 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.065 -0.971 . . . . 25.0 110.08 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.6 t -71.1 -37.38 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 122.027 -0.421 . . . . 25.0 111.306 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.15 -43.91 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.38 -36.28 71.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.547 -0.297 . . . . 25.0 111.532 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.5 t -62.65 -43.06 98.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 175.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.1 83.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.152 -0.343 . . . . 25.0 110.763 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.73 94.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 25.0 110.469 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.21 -34.48 72.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.127 0.489 . . . . 25.0 109.797 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.1 m -64.14 -42.35 96.83 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 122.21 -0.307 . . . . 25.0 111.22 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.49 HG11 ' HB2' ' B' ' 72' ' ' GLN . 33.3 m -73.52 -19.04 17.9 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 O-C-N 121.353 -0.842 . . . . 25.0 112.189 177.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.09 0.46 1.94 Allowed 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 121.954 0.883 . . . . 25.0 110.965 169.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -57.65 -26.16 61.24 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 121.06 -1.025 . . . . 25.0 113.239 -172.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -53.14 -22.75 6.81 Favored 'General case' 0 C--O 1.219 -0.527 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -56.66 -26.11 55.45 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.48 ' HB3' ' CE2' ' B' ' 26' ' ' TYR . 25.4 m-85 -63.23 -21.89 66.51 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 121.136 -0.978 . . . . 25.0 112.067 176.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -116.31 -10.49 11.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.426 0.631 . . . . 25.0 112.498 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -130.0 99.19 5.0 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 106.009 -1.849 . . . . 25.0 106.009 173.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -98.81 77.95 2.28 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.555 -1.202 . . . . 25.0 110.861 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.7 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.167 -0.921 . . . . 25.0 109.07 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.002 0 CA-C-O 119.388 -0.674 . . . . 25.0 111.581 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 97.4 p -70.26 172.67 7.8 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 172.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -63.98 -31.11 72.17 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.071 -0.652 . . . . 25.0 110.227 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.501 HD22 HD13 ' A' ' 41' ' ' LEU . 5.0 tt -67.77 -43.13 80.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.849 0.833 . . . . 25.0 109.114 178.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.14 -35.58 76.53 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.76 -0.587 . . . . 25.0 111.072 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.7 p -73.31 -27.48 61.56 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.265 -0.574 . . . . 25.0 109.636 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.22 91.99 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 107.442 -1.318 . . . . 25.0 107.442 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.8 mmm -70.95 -32.43 69.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.48 -27.94 66.59 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.603 -0.685 . . . . 25.0 109.177 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.6 m -63.78 -42.82 97.69 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.24 -37.07 85.79 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -63.69 -48.83 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -60.53 -45.66 93.02 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 112.407 0.521 . . . . 25.0 112.407 -177.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 p -73.35 -34.85 44.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 119.235 -0.412 . . . . 25.0 111.424 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -59.04 -49.95 75.96 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.989 0.813 . . . . 25.0 108.843 172.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -62.28 -23.7 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.047 -0.979 . . . . 25.0 113.5 -175.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.89 97.57 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.355 -0.216 . . . . 25.0 111.464 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -91.54 -17.9 24.94 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.445 0.165 . . . . 25.0 111.445 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -56.94 154.81 8.9 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.32 16.89 54.7 Favored Glycine 0 C--O 1.228 -0.26 0 N-CA-C 115.279 0.871 . . . . 25.0 115.279 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -66.13 -31.37 72.19 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -91.7 -3.09 56.67 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 114.436 -1.256 . . . . 25.0 112.841 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.44 -30.87 8.79 Favored Glycine 0 CA--C 1.521 0.445 0 CA-C-O 119.661 -0.522 . . . . 25.0 114.093 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -82.61 110.54 17.78 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 106.587 -1.635 . . . . 25.0 106.587 174.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -76.95 -14.08 59.9 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 115.318 1.599 . . . . 25.0 115.318 -168.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 89' ' ' PHE . 11.5 m-30 -101.75 10.41 40.02 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 -178.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -123.59 166.74 14.95 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 123.984 0.914 . . . . 25.0 109.028 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 138.49 24.93 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 105.941 -1.874 . . . . 25.0 105.941 170.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -70.26 151.61 45.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 119.033 0.833 . . . . 25.0 109.983 -177.22 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -61.26 -42.21 98.23 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.53 0.937 . . . . 25.0 113.53 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -28.4 68.77 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.393 0.997 . . . . 25.0 110.72 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.18 -23.51 47.57 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 tp -70.34 -30.67 67.68 Favored 'General case' 0 C--O 1.219 -0.538 0 O-C-N 121.787 -0.57 . . . . 25.0 110.062 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.589 ' HB2' HD11 ' B' ' 61' ' ' LEU . 35.9 ttpt -61.9 -34.46 76.09 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -65.71 -49.39 68.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.809 -0.811 . . . . 25.0 108.809 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.33 -45.35 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.366 0.603 . . . . 25.0 110.121 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.26 -29.78 71.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.136 0.493 . . . . 25.0 111.286 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -81.89 -22.39 36.88 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.984 0.364 . . . . 25.0 111.984 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -98.62 -54.37 3.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.692 -0.685 . . . . 25.0 111.485 -173.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -91.09 -26.89 18.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.181 0.515 . . . . 25.0 112.382 -173.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.609 HD13 HD22 ' A' ' 4' ' ' LEU . 11.1 tp -105.87 12.21 30.96 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.593 0.711 . . . . 25.0 109.312 177.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.08 -39.15 8.9 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.428 1.64 . . . . 25.0 115.428 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.99 -32.82 77.8 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.007 -1.092 . . . . 25.0 113.065 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -70.8 -27.69 64.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.508 -0.996 . . . . 25.0 109.258 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.0 mt -77.93 -37.48 47.59 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.642 0.589 . . . . 25.0 111.215 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.8 -34.49 78.28 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 122.074 0.94 . . . . 25.0 109.519 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.72 31.75 4.27 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 115.12 -0.945 . . . . 25.0 110.639 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -62.9 162.57 10.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.973 0.416 . . . . 25.0 109.92 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.402 ' HB3' ' CG ' ' B' ' 88' ' ' PHE . 70.3 mmtt -136.31 -61.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.083 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -76.86 92.14 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.1 m -66.22 -27.34 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.429 -175.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.45 -43.46 49.47 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.06 -40.07 63.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.047 -0.408 . . . . 25.0 112.072 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.84 -39.67 85.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -30.23 36.74 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.03 0.443 . . . . 25.0 111.062 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -58.28 -36.65 73.6 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 110.121 -0.325 . . . . 25.0 110.121 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.62 -42.43 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.886 -0.783 . . . . 25.0 108.886 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.8 mmt -67.69 -49.43 62.76 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -36.3 83.21 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.693 -0.403 . . . . 25.0 110.613 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.87 -41.39 99.36 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.677 -0.409 . . . . 25.0 110.353 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -78.04 -24.57 47.72 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 118.875 -1.13 . . . . 25.0 110.432 -179.552 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.14 -26.51 67.74 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.142 0.423 . . . . 25.0 112.142 -176.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -102.38 -20.36 14.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.399 0.619 . . . . 25.0 110.826 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -98.17 12.31 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.808 -0.633 . . . . 25.0 109.619 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.91 -22.22 66.35 Favored Glycine 0 C--O 1.221 -0.665 0 N-CA-C 116.495 1.358 . . . . 25.0 116.495 -167.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -91.37 5.25 50.06 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 121.55 0.69 . . . . 25.0 111.039 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.5 -160.66 36.5 Favored Glycine 0 N--CA 1.417 -2.613 0 N-CA-C 103.376 -3.89 . . . . 25.0 103.376 171.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.446 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.1 OUTLIER -146.98 167.01 25.08 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 122.156 -0.614 . . . . 25.0 110.47 -174.264 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.8 m -134.94 167.08 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.15 -0.932 . . . . 25.0 109.84 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -122.03 -173.98 2.78 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 104.773 -2.306 . . . . 25.0 104.773 172.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -52.4 -47.71 66.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.701 1.0 . . . . 25.0 113.701 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.49 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.2 tt0 -56.62 -47.18 80.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.75 0.705 . . . . 25.0 111.323 -177.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.71 -44.12 74.58 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 122.272 1.034 . . . . 25.0 108.648 -173.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -39.09 89.07 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.995 -1.002 . . . . 25.0 110.436 -176.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.9 t -71.46 -36.58 61.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 122.251 -0.281 . . . . 25.0 110.484 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 72' ' ' GLN . 59.7 t -58.34 -45.15 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 176.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 48.1 mt -69.45 -37.31 77.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.75 0.309 . . . . 25.0 111.433 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.0 t -63.4 -43.11 98.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.0 86.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.041 -0.412 . . . . 25.0 110.547 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.2 96.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.311 0.577 . . . . 25.0 110.392 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.04 -34.82 75.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.682 0.753 . . . . 25.0 109.711 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 44.6 m -64.93 -43.6 92.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.111 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.515 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.3 m -70.81 -21.96 22.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.31 -24.82 57.5 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 122.133 0.968 . . . . 25.0 108.727 171.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.82 -31.76 73.14 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.629 -1.295 . . . . 25.0 113.632 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -56.42 -27.35 56.34 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.351 0.596 . . . . 25.0 111.772 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.402 ' CG ' ' HB3' ' B' ' 49' ' ' LYS . 5.9 m-85 -85.97 -14.47 44.53 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -178.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -73.4 9.24 1.39 Allowed 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 121.381 0.61 . . . . 25.0 111.878 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -100.58 11.28 39.82 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -159.16 177.2 11.33 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 101.586 -3.487 . . . . 25.0 101.586 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -94.82 77.91 3.66 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 106.794 -1.558 . . . . 25.0 106.794 162.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 119.112 -0.471 . . . . 25.0 111.609 177.763 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.464 0 CA-C-O 119.347 -0.696 . . . . 25.0 111.711 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.11 175.91 1.91 Allowed 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 172.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -58.82 -45.22 90.46 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.482 0.658 . . . . 25.0 111.634 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.415 HD12 HG11 ' B' ' 14' ' ' VAL . 2.7 tt -66.67 -39.73 88.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.047 0.927 . . . . 25.0 109.308 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -67.32 -36.38 81.34 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 121.448 -0.782 . . . . 25.0 111.205 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 p -71.52 -28.13 63.68 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.504 -0.478 . . . . 25.0 109.803 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.41 -46.91 84.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.9 mmm -71.87 -32.11 67.13 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -70.67 -25.54 63.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -66.01 -43.29 88.1 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 122.046 -0.409 . . . . 25.0 110.179 171.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.89 -36.09 76.21 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.83 -46.09 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.678 -0.49 . . . . 25.0 109.678 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.87 -48.5 81.17 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.189 0.518 . . . . 25.0 110.801 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.419 HG11 HD12 ' B' ' 4' ' ' LEU . 78.4 t -63.35 -43.66 98.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.556 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.62 -49.6 75.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.385 0.612 . . . . 25.0 109.907 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -59.1 -31.3 68.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.462 -0.79 . . . . 25.0 112.06 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.67 85.24 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.137 0.421 . . . . 25.0 112.137 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -90.39 -20.22 23.08 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.347 0.499 . . . . 25.0 112.347 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -59.71 159.53 8.59 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.121 1.156 . . . . 25.0 114.121 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.5 22.05 52.1 Favored Glycine 0 C--O 1.228 -0.239 0 C-N-CA 120.8 -0.714 . . . . 25.0 114.503 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -69.0 -32.31 71.77 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 107.942 -1.133 . . . . 25.0 107.942 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.89 -6.31 58.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.814 -1.539 . . . . 25.0 111.688 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.09 -30.17 10.96 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 115.841 -0.618 . . . . 25.0 113.569 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -84.0 107.44 16.36 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 107.027 -1.472 . . . . 25.0 107.027 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -71.26 -8.79 55.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 114.2 1.185 . . . . 25.0 114.2 -170.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -100.8 5.74 43.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.797 -0.565 . . . . 25.0 109.909 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -119.84 160.19 23.12 Favored 'General case' 0 CA--C 1.509 -0.599 0 C-N-CA 123.891 0.876 . . . . 25.0 111.397 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 tp -142.71 128.64 19.52 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.782 -1.562 . . . . 25.0 106.782 170.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -64.27 146.87 53.64 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.816 -0.809 . . . . 25.0 108.816 -178.601 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -60.58 -41.33 94.42 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 113.396 0.887 . . . . 25.0 113.396 -174.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -28.46 69.42 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.821 -1.175 . . . . 25.0 110.251 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -81.59 -24.9 36.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.504 0.669 . . . . 25.0 109.525 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.44 HD11 ' HD1' ' A' ' 74' ' ' TYR . 8.7 tp -67.2 -37.02 82.94 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 173.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.629 ' HB2' HD11 ' A' ' 61' ' ' LEU . 31.7 ttpt -60.43 -33.58 72.73 Favored 'General case' 0 C--O 1.215 -0.757 0 C-N-CA 120.403 -0.519 . . . . 25.0 110.487 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -63.5 -48.16 78.74 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.31 -46.55 88.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.457 0.646 . . . . 25.0 109.311 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.35 -32.08 72.81 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.789 -0.642 . . . . 25.0 111.576 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -81.79 -22.82 36.93 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 122.965 0.506 . . . . 25.0 110.9 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.4 m -90.56 -51.59 5.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.88 -0.6 . . . . 25.0 111.896 -176.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -93.8 -42.93 8.85 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.438 0.532 . . . . 25.0 112.438 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.427 HD13 HD22 ' B' ' 4' ' ' LEU . 9.2 tp -86.58 10.18 16.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.649 0.738 . . . . 25.0 109.899 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -38.13 21.08 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 115.303 1.594 . . . . 25.0 115.303 174.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.18 -34.17 61.48 Favored Glycine 0 C--O 1.227 -0.305 0 C-N-CA 120.479 -0.867 . . . . 25.0 111.389 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -71.84 -30.45 65.49 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.695 -0.886 . . . . 25.0 109.086 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -70.43 -41.03 73.44 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 120.67 0.272 . . . . 25.0 110.594 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -66.51 -35.37 80.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.656 0.741 . . . . 25.0 110.781 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.65 42.22 1.27 Allowed 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.713 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -71.91 156.02 39.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.128 -0.942 . . . . 25.0 108.718 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -127.88 -53.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.406 0.622 . . . . 25.0 109.624 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.42 84.21 7.73 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.552 0.691 . . . . 25.0 109.48 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.7 m -61.63 -25.96 38.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.277 -0.874 . . . . 25.0 111.77 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -69.47 -39.71 77.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.219 0.533 . . . . 25.0 110.771 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.01 -37.81 25.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 p -64.71 -38.33 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 -176.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -79.24 -27.72 42.41 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.556 -0.747 . . . . 25.0 110.659 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -60.29 -38.41 83.53 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.507 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.52 -43.13 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.89 0.852 . . . . 25.0 108.759 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.2 mmt -68.2 -49.55 60.06 Favored 'General case' 0 CA--C 1.49 -1.328 0 CA-C-N 115.599 -0.728 . . . . 25.0 112.49 -175.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -35.7 81.39 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.981 -0.288 . . . . 25.0 110.374 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -60.39 -48.12 83.13 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.133 -0.691 . . . . 25.0 109.133 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -79.03 -21.49 46.82 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 119.237 -0.985 . . . . 25.0 110.905 -174.001 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.59 -27.48 67.76 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.951 0.405 . . . . 25.0 111.433 -177.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -107.1 -22.97 12.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.332 0.587 . . . . 25.0 111.588 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -96.64 16.25 19.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.865 0.84 . . . . 25.0 109.877 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.43 -18.3 63.12 Favored Glycine 0 C--O 1.216 -1.02 0 N-CA-C 115.701 1.04 . . . . 25.0 115.701 -170.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.96 5.43 50.12 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.759 0.79 . . . . 25.0 110.956 -169.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.35 -157.14 33.37 Favored Glycine 0 N--CA 1.42 -2.408 0 N-CA-C 104.88 -3.288 . . . . 25.0 104.88 173.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.0 pt-20 -148.41 164.29 34.57 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.49 165.48 24.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -115.39 -174.12 2.45 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.627 -1.62 . . . . 25.0 106.627 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.53 -47.54 66.63 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.053 0.76 . . . . 25.0 113.053 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.7 tt0 -54.75 -47.07 74.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 118.311 0.505 . . . . 25.0 110.906 -177.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.69 -41.65 62.35 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.896 0.855 . . . . 25.0 109.267 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.44 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -56.1 -40.61 73.96 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.318 -0.855 . . . . 25.0 109.914 178.677 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 77.1 t -72.15 -37.21 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 122.239 -0.288 . . . . 25.0 111.069 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 72' ' ' GLN . 62.5 t -57.82 -46.78 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 121.477 0.656 . . . . 25.0 109.262 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.68 -37.12 76.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.949 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.9 t -63.44 -43.79 98.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 175.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.38 85.82 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.065 -0.397 . . . . 25.0 110.665 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.16 98.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.33 0.586 . . . . 25.0 110.35 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 tt -68.56 -37.26 79.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 25.0 109.901 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.241 -0.436 . . . . 25.0 111.414 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.453 HG11 ' HB2' ' B' ' 72' ' ' GLN . 29.1 m -69.32 -26.8 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 119.167 0.894 . . . . 25.0 112.045 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.33 -4.38 21.87 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.789 0.804 . . . . 25.0 111.437 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -95.8 -11.32 27.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.474 2.31 . . . . 25.0 115.439 -173.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -43.07 -21.12 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 115.53 1.678 . . . . 25.0 115.53 -171.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -40.89 -21.17 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 118.01 2.596 . . . . 25.0 118.01 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -57.2 -26.91 61.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 119.453 1.024 . . . . 25.0 111.899 174.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -124.0 10.61 8.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.523 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -144.21 113.75 7.09 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 -175.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -94.77 77.96 3.69 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 174.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.241 0.652 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 178.387 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.527 0 CA-C-O 119.471 -0.627 . . . . 25.0 111.757 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -70.38 178.62 2.82 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 107.95 -1.13 . . . . 25.0 107.95 171.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.44 -43.69 96.58 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.354 0.597 . . . . 25.0 110.794 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.427 HD22 HD13 ' A' ' 41' ' ' LEU . 3.6 tt -65.68 -42.24 91.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.827 0.822 . . . . 25.0 109.607 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.58 -34.8 77.77 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.348 -0.845 . . . . 25.0 111.712 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.8 p -71.3 -28.24 63.97 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.186 -0.606 . . . . 25.0 109.841 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.79 83.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 175.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -71.12 -32.98 69.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -69.62 -26.24 64.33 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 109.381 -0.6 . . . . 25.0 109.381 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 58.5 m -65.64 -43.58 89.01 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 122.02 -0.425 . . . . 25.0 110.298 171.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.3 -36.06 77.01 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.141 -0.688 . . . . 25.0 109.141 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.52 -46.11 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -58.71 -50.77 72.67 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.149 0.5 . . . . 25.0 110.716 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.415 HG11 HD12 ' A' ' 4' ' ' LEU . 90.7 t -62.64 -43.01 98.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.427 -0.806 . . . . 25.0 111.455 -178.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.405 ' HB2' ' CE2' ' B' ' 74' ' ' TYR . 83.7 t80 -62.07 -48.86 78.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.827 -0.545 . . . . 25.0 110.627 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -63.45 -28.06 69.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 25.0 111.86 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.51 97.41 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.928 0.344 . . . . 25.0 111.928 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -92.38 -16.85 25.43 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.784 0.326 . . . . 25.0 111.269 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.2 m -63.56 150.77 43.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.241 0.543 . . . . 25.0 110.725 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.93 -3.62 48.76 Favored Glycine 0 C--O 1.223 -0.587 0 C-N-CA 120.95 -0.643 . . . . 25.0 113.994 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -57.88 -42.41 84.55 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 117.637 0.719 . . . . 25.0 111.039 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -79.92 -25.15 40.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 -174.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.82 -29.78 4.34 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.186 -0.916 . . . . 25.0 115.064 -176.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -85.7 126.92 34.32 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 105.445 -2.057 . . . . 25.0 105.445 169.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.34 -30.08 68.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -170.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -105.77 18.2 22.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.997 0.427 . . . . 25.0 110.733 -174.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -127.11 157.17 40.4 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.104 -1.073 . . . . 25.0 108.104 175.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.71 130.33 34.04 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.411 ' HB2' ' HD3' ' B' ' 31' ' ' LYS . 0.4 OUTLIER -65.53 150.42 48.41 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.04 -0.355 . . . . 25.0 110.04 -178.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -66.9 -39.35 87.4 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 113.461 0.911 . . . . 25.0 113.461 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.411 ' HD3' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -65.13 -29.68 70.55 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.714 1.143 . . . . 25.0 109.677 178.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.91 -24.26 38.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.701 -0.681 . . . . 25.0 110.322 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.452 HD11 ' HD1' ' B' ' 74' ' ' TYR . 14.5 tp -65.51 -34.43 78.25 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.753 -0.592 . . . . 25.0 109.635 175.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -61.85 -32.55 72.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.291 -0.413 . . . . 25.0 110.593 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -65.48 -48.05 73.95 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.53 -46.24 87.21 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 mt -62.45 -31.86 72.64 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.641 -0.708 . . . . 25.0 112.149 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.89 -22.61 36.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.944 0.402 . . . . 25.0 111.165 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.5 m -91.12 -57.26 2.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.205 -175.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -84.21 -44.51 13.85 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.276 0.56 . . . . 25.0 111.568 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tp -88.69 11.9 16.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.989 -0.551 . . . . 25.0 111.984 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -35.58 9.1 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 174.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.76 -32.61 63.87 Favored Glycine 0 C--O 1.226 -0.386 0 C-N-CA 120.625 -0.797 . . . . 25.0 111.834 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -72.47 -28.72 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.664 -0.904 . . . . 25.0 108.745 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.08 -40.61 71.47 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -66.89 -30.73 70.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.717 0.77 . . . . 25.0 110.287 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.29 19.49 15.34 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.788 -0.642 . . . . 25.0 110.87 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -59.61 149.84 29.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.557 0.694 . . . . 25.0 110.444 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -132.51 -43.55 0.92 Allowed 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -83.76 89.11 7.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.475 0.655 . . . . 25.0 109.436 175.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -67.23 -23.43 30.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.757 -0.656 . . . . 25.0 111.168 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.3 -40.88 42.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.917 0.389 . . . . 25.0 110.053 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.15 -37.53 38.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.63 -38.3 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -80.17 -28.36 38.8 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.562 -0.745 . . . . 25.0 110.169 -176.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -59.58 -38.73 81.98 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 122.186 -0.321 . . . . 25.0 111.706 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.3 -42.78 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.802 0.81 . . . . 25.0 109.141 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.9 mmt -68.18 -46.6 70.22 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.592 -0.731 . . . . 25.0 111.75 -176.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -37.82 84.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.294 -0.412 . . . . 25.0 110.648 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -61.28 -46.08 91.83 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 109.097 -0.705 . . . . 25.0 109.097 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.412 HD12 ' C ' ' B' ' 61' ' ' LEU . 0.6 OUTLIER -76.51 -26.18 54.98 Favored 'General case' 0 C--O 1.201 -1.483 0 C-N-CA 118.614 -1.234 . . . . 25.0 108.9 -171.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.05 -20.86 66.31 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -100.66 -14.03 18.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.526 0.679 . . . . 25.0 110.513 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -112.67 15.15 20.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.454 -0.794 . . . . 25.0 110.417 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.83 -22.33 62.04 Favored Glycine 0 C--O 1.222 -0.612 0 N-CA-C 116.276 1.27 . . . . 25.0 116.276 -166.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -94.7 6.31 49.28 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 121.755 0.788 . . . . 25.0 111.18 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.17 -163.56 38.0 Favored Glycine 0 N--CA 1.409 -3.166 1 N-CA-C 102.237 -4.345 . . . . 25.0 102.237 170.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -149.39 162.32 40.33 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 114.91 -0.645 . . . . 25.0 109.315 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.93 167.44 26.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.074 -0.967 . . . . 25.0 108.938 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -117.95 -174.22 2.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.738 -1.949 . . . . 25.0 105.738 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -52.38 -48.28 65.71 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.453 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.7 tt0 -53.4 -49.15 67.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.968 0.349 . . . . 25.0 110.979 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -73.46 -41.96 62.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.512 0.673 . . . . 25.0 110.033 -173.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.452 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -56.72 -39.95 74.8 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.304 179.438 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.7 t -71.33 -37.64 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 122.392 -0.192 . . . . 25.0 110.773 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.5 -44.67 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.365 0.602 . . . . 25.0 109.888 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.63 -36.3 73.37 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.284 0.564 . . . . 25.0 110.549 -177.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.93 -43.81 99.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.009 -0.737 . . . . 25.0 109.009 174.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.46 83.61 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.963 -0.46 . . . . 25.0 111.36 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.68 98.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.29 0.566 . . . . 25.0 110.294 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -35.1 73.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.347 0.594 . . . . 25.0 109.723 177.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.1 m -60.42 -45.22 94.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.264 -0.425 . . . . 25.0 110.772 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.468 HG11 ' HB2' ' A' ' 72' ' ' GLN . 30.2 m -72.78 -26.14 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 120.943 -1.098 . . . . 25.0 112.015 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.64 78.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 122.095 0.95 . . . . 25.0 109.614 174.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -98.18 -15.42 19.9 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.859 -1.151 . . . . 25.0 111.402 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -44.42 -21.07 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.403 1.631 . . . . 25.0 115.403 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -42.23 -15.95 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 170.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -53.02 -27.01 17.48 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 120.855 -1.153 . . . . 25.0 112.965 172.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -95.25 10.48 35.92 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.833 0.679 . . . . 25.0 112.833 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -112.94 103.42 11.39 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.223 1.011 . . . . 25.0 109.626 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -81.13 88.91 5.97 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.064 -0.971 . . . . 25.0 110.969 -175.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.391 -0.814 . . . . 25.0 109.684 174.795 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.813 0 CA-C-O 119.054 -0.859 . . . . 25.0 111.662 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -66.06 177.44 1.38 Allowed 'General case' 0 C--O 1.239 0.532 0 CA-C-N 117.439 0.62 . . . . 25.0 110.548 175.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -61.37 -44.46 97.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.953 0.406 . . . . 25.0 111.001 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.406 HD22 HD13 ' B' ' 41' ' ' LEU . 1.9 tt -66.96 -41.27 87.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.884 0.849 . . . . 25.0 110.379 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -63.91 -36.8 85.12 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.571 -0.706 . . . . 25.0 111.373 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.2 p -74.61 -29.83 61.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.614 -0.435 . . . . 25.0 110.45 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.92 95.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.4 mmm -72.82 -32.12 65.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.018 0.747 . . . . 25.0 113.018 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -68.21 -29.2 67.99 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.691 -0.855 . . . . 25.0 108.691 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.2 m -62.59 -44.41 96.39 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.923 0.392 . . . . 25.0 110.69 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.24 -36.22 79.4 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.916 -0.49 . . . . 25.0 110.254 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.5 mt -65.47 -46.06 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 109.133 -0.692 . . . . 25.0 109.133 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -58.31 -45.77 87.41 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.271 0.557 . . . . 25.0 111.528 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.525 HG11 HD12 ' B' ' 4' ' ' LEU . 86.1 t -65.69 -41.76 91.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.816 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -61.51 -43.97 97.91 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.783 -0.573 . . . . 25.0 109.904 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -69.46 -19.16 63.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.62 65.75 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 111.932 0.345 . . . . 25.0 111.932 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -116.43 -12.51 11.04 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.8 p -67.87 162.73 23.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.449 0.642 . . . . 25.0 112.167 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.04 -8.45 42.17 Favored Glycine 0 CA--C 1.51 -0.277 0 C-N-CA 121.237 -0.506 . . . . 25.0 112.591 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -63.57 -28.54 70.0 Favored 'General case' 0 C--O 1.219 -0.547 0 O-C-N 122.593 -0.357 . . . . 25.0 111.312 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -109.86 41.97 1.6 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 116.002 1.853 . . . . 25.0 116.002 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.82 -31.06 5.76 Favored Glycine 0 C--N 1.309 -0.926 0 N-CA-C 117.667 1.827 . . . . 25.0 117.667 171.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -123.68 144.61 49.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 118.206 1.003 . . . . 25.0 112.363 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.595 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -56.88 -30.92 64.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.337 -1.301 . . . . 25.0 114.181 -175.184 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -105.55 15.27 27.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.662 0.268 . . . . 25.0 110.903 -174.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -125.02 149.15 48.05 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.148 0.499 . . . . 25.0 110.167 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.7 tp -140.89 135.67 31.54 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 107.176 -1.416 . . . . 25.0 107.176 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.445 ' HB2' ' HD3' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -66.34 152.7 44.45 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.977 -0.289 . . . . 25.0 110.943 178.262 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -64.34 -43.08 95.74 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.193 0.812 . . . . 25.0 113.193 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HD3' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -64.74 -31.65 72.97 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.105 0.866 . . . . 25.0 110.079 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -76.68 -27.4 55.55 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.541 -0.754 . . . . 25.0 109.769 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.444 HD22 HG21 ' A' ' 69' ' ' VAL . 14.2 tp -67.38 -32.95 74.21 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.82 -0.55 . . . . 25.0 110.375 176.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.584 ' HB2' HD11 ' A' ' 61' ' ' LEU . 32.1 ttpt -58.54 -33.91 70.41 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 120.656 -0.418 . . . . 25.0 110.561 177.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.03 -48.43 76.36 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt -59.44 -46.16 89.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.047 -0.723 . . . . 25.0 109.047 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.98 -31.89 73.11 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 121.175 0.512 . . . . 25.0 111.736 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -81.98 -22.18 36.72 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 122.038 -0.414 . . . . 25.0 111.372 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.7 m -97.11 -59.54 1.77 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.826 -0.625 . . . . 25.0 112.313 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -84.57 -28.96 26.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.538 0.57 . . . . 25.0 112.538 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.415 HD13 HD22 ' B' ' 4' ' ' LEU . 13.8 tp -98.55 7.23 46.41 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 177.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -42.88 -41.67 3.39 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 116.173 1.916 . . . . 25.0 116.173 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.58 -30.19 76.02 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 119.915 -1.136 . . . . 25.0 112.786 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -76.83 -23.48 52.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.604 -0.939 . . . . 25.0 109.955 176.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.04 -35.48 49.65 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -67.12 -30.79 70.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.724 0.773 . . . . 25.0 109.78 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.97 21.42 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.551 -0.75 . . . . 25.0 111.282 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -60.31 151.54 27.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.964 0.411 . . . . 25.0 110.606 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -132.45 -53.95 0.95 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.116 0.484 . . . . 25.0 110.598 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -80.04 84.05 5.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.431 ' HA ' HG12 ' A' ' 54' ' ' VAL . 30.2 m -63.52 -29.95 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.29 -0.414 . . . . 25.0 111.766 -175.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.56 -36.83 83.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.257 0.551 . . . . 25.0 109.651 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.21 -37.63 25.75 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 51' ' ' VAL . 5.8 p -68.44 -39.9 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 -175.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -80.09 -26.47 39.54 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.14 0.495 . . . . 25.0 110.174 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -55.09 -47.26 75.17 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.381 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.14 -39.92 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.66 -50.76 56.22 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 115.839 -0.619 . . . . 25.0 111.97 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -37.29 85.27 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.627 -0.429 . . . . 25.0 110.706 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.61 -40.93 98.51 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.237 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.69 -24.03 45.29 Favored 'General case' 0 C--O 1.205 -1.254 0 C-N-CA 119.21 -0.996 . . . . 25.0 110.552 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.43 -26.12 68.33 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.111 -0.368 . . . . 25.0 111.625 -177.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -100.04 -24.87 14.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.53 0.681 . . . . 25.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -96.92 15.8 21.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.817 -0.628 . . . . 25.0 110.016 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.04 -20.88 69.3 Favored Glycine 0 C--O 1.218 -0.872 0 N-CA-C 115.915 1.126 . . . . 25.0 115.915 -167.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.0 7.68 36.35 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 122.037 0.922 . . . . 25.0 110.428 -172.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.75 -159.26 35.27 Favored Glycine 0 N--CA 1.417 -2.584 0 N-CA-C 104.215 -3.554 . . . . 25.0 104.215 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -151.54 166.38 31.35 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 122.132 -0.628 . . . . 25.0 110.509 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.444 HG21 HD22 ' A' ' 33' ' ' LEU . 3.2 m -138.34 171.48 15.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.963 -1.017 . . . . 25.0 110.355 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -126.2 -174.08 3.02 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.934 -2.247 . . . . 25.0 104.934 174.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -52.86 -47.7 67.6 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.446 0.906 . . . . 25.0 113.446 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.537 ' HB2' HG11 ' B' ' 83' ' ' VAL . 62.3 tt0 -54.56 -47.86 72.74 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.497 0.589 . . . . 25.0 110.917 -177.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -71.41 -41.08 70.0 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.785 0.802 . . . . 25.0 109.445 -173.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -39.88 86.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.265 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.6 t -71.39 -36.73 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 122.275 -0.266 . . . . 25.0 110.527 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.9 t -59.38 -43.98 91.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -70.06 -37.24 75.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.887 0.375 . . . . 25.0 111.236 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.9 t -62.7 -42.88 97.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.12 81.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.051 -0.406 . . . . 25.0 110.706 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.5 94.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.454 0.645 . . . . 25.0 110.099 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.18 -35.92 71.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.382 0.61 . . . . 25.0 109.968 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.4 m -60.85 -46.98 88.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.975 -0.453 . . . . 25.0 109.923 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.495 HG11 ' HB2' ' B' ' 72' ' ' GLN . 35.2 m -67.07 -19.03 25.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 114.011 1.115 . . . . 25.0 114.011 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.01 0.75 1.12 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 122.026 0.917 . . . . 25.0 111.801 168.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -71.02 -30.12 66.24 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 115.981 1.845 . . . . 25.0 115.981 -174.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -70.62 -27.13 63.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.03 -13.97 62.76 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 113.061 0.763 . . . . 25.0 113.061 174.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.432 ' HB3' ' CE2' ' B' ' 26' ' ' TYR . 23.3 m-30 -65.45 -1.16 2.31 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 121.116 -0.99 . . . . 25.0 113.061 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -98.49 14.55 27.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.836 -0.801 . . . . 25.0 108.836 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -153.33 173.66 15.32 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 101.941 -3.355 . . . . 25.0 101.941 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -75.79 96.38 3.65 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 121.857 -0.527 . . . . 25.0 110.027 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.451 -0.785 . . . . 25.0 112.257 177.692 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 CA-C-O 119.149 -0.806 . . . . 25.0 111.578 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -71.27 177.0 4.11 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 117.625 0.712 . . . . 25.0 109.973 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.02 -29.87 70.81 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 120.423 -0.511 . . . . 25.0 109.763 175.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.525 HD12 HG11 ' A' ' 14' ' ' VAL . 1.5 tt -67.45 -43.76 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.615 0.722 . . . . 25.0 109.899 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.19 -41.06 97.26 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.451 -0.781 . . . . 25.0 110.314 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 35.4 p -72.71 -28.86 62.92 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.614 -0.434 . . . . 25.0 110.32 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.57 89.44 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 174.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.5 mmm -71.83 -30.22 65.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.3 -29.05 66.82 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.801 -0.814 . . . . 25.0 108.801 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -64.47 -42.72 95.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.343 -0.389 . . . . 25.0 110.196 173.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.77 -34.52 74.6 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -67.67 -44.74 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -60.34 -49.03 79.21 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.262 0.553 . . . . 25.0 110.442 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 74.4 t -63.13 -43.32 98.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.42 -0.809 . . . . 25.0 111.205 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.52 -42.86 88.65 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 121.739 -0.6 . . . . 25.0 109.415 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -70.66 -14.16 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.04 77.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.77 -0.372 . . . . 25.0 110.478 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -107.26 -16.17 14.47 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.8 p -59.42 154.23 17.45 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.678 0.622 . . . . 25.0 112.678 -176.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.63 11.42 58.09 Favored Glycine 0 C--O 1.228 -0.272 0 N-CA-C 114.978 0.751 . . . . 25.0 114.978 176.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -66.73 -33.87 76.59 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.491 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 1.5 pm0 -88.16 -10.48 49.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.819 -1.082 . . . . 25.0 111.875 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.7 -2.49 30.54 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 117.479 1.752 . . . . 25.0 117.479 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -96.29 162.94 13.29 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 119.296 1.548 . . . . 25.0 111.014 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -27.69 35.07 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.517 -0.739 . . . . 25.0 112.181 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 89' ' ' PHE . 13.3 m-85 -121.09 11.9 11.01 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 114.339 1.237 . . . . 25.0 114.339 -171.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -123.65 162.97 21.98 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.371 0.532 . . . . 25.0 111.89 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.7 tp -146.81 132.11 18.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -63.51 147.15 52.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.084 0.402 . . . . 25.0 110.322 177.711 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -62.11 -43.33 99.06 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.715 1.005 . . . . 25.0 113.715 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -29.41 70.42 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.643 0.656 . . . . 25.0 110.242 -178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.01 -24.94 47.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.418 -0.81 . . . . 25.0 109.96 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.521 HD11 ' HD1' ' B' ' 74' ' ' TYR . 35.1 tp -71.05 -26.15 62.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.738 -0.601 . . . . 25.0 110.595 175.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.493 ' HB2' HD11 ' B' ' 61' ' ' LEU . 34.9 ttpt -63.18 -33.54 75.71 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 119.839 -0.744 . . . . 25.0 109.633 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.64 -45.13 95.25 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.77 -43.88 95.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.909 -0.587 . . . . 25.0 110.157 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mp -65.19 -27.38 68.66 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.68 0.752 . . . . 25.0 111.555 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -81.89 -21.49 37.4 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 123.551 0.74 . . . . 25.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 32.8 m -105.77 -60.72 1.6 Allowed 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.43 -20.7 31.39 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.909 0.861 . . . . 25.0 112.327 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.406 HD13 HD22 ' A' ' 4' ' ' LEU . 11.9 tp -110.06 10.26 24.08 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.671 -1.15 . . . . 25.0 109.682 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.69 -37.06 58.32 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.149 1.537 . . . . 25.0 115.149 177.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.69 -30.36 70.73 Favored Glycine 0 C--O 1.221 -0.673 0 O-C-N 121.461 -0.774 . . . . 25.0 111.424 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -79.18 -27.94 42.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.805 -0.821 . . . . 25.0 108.891 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 20.9 tp -68.53 -41.35 80.03 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 121.305 0.574 . . . . 25.0 109.467 177.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.61 -30.86 70.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.691 0.757 . . . . 25.0 110.914 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.12 30.49 2.44 Favored 'General case' 0 C--O 1.246 0.87 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.94 151.35 47.25 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.813 -1.18 . . . . 25.0 107.813 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -133.11 -52.18 0.9 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.158 -1.423 . . . . 25.0 107.158 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -82.02 91.94 6.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.749 -1.114 . . . . 25.0 109.789 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.2 m -66.43 -24.15 32.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.898 -0.592 . . . . 25.0 111.637 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -76.71 -40.65 48.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.106 0.479 . . . . 25.0 110.221 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.84 -38.61 37.53 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.36 -37.56 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.35 -27.32 38.32 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.79 -0.641 . . . . 25.0 110.662 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -58.8 -37.19 75.79 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 121.033 -0.267 . . . . 25.0 111.246 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.04 -43.73 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.89 0.853 . . . . 25.0 109.441 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.7 mmt -70.63 -45.87 64.4 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.844 -175.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -34.95 79.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.491 -0.189 . . . . 25.0 110.491 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -59.89 -48.36 82.01 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -80.35 -18.48 48.95 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 119.232 -0.987 . . . . 25.0 111.297 -174.332 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.43 -29.99 68.16 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.998 0.428 . . . . 25.0 111.271 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -107.03 -22.65 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.362 0.601 . . . . 25.0 111.788 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -97.28 9.98 40.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.789 0.804 . . . . 25.0 110.968 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.37 -21.73 60.28 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 116.877 1.511 . . . . 25.0 116.877 -169.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -91.32 2.61 56.26 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.637 0.732 . . . . 25.0 110.847 -170.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.59 -159.84 35.48 Favored Glycine 0 N--CA 1.421 -2.348 0 N-CA-C 104.591 -3.404 . . . . 25.0 104.591 173.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 12.5 pt-20 -150.08 158.15 43.86 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 -176.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -135.93 167.96 23.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.495 -0.775 . . . . 25.0 109.609 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -117.97 -174.09 2.57 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.062 -1.459 . . . . 25.0 107.062 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -52.3 -48.04 65.57 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 113.585 0.957 . . . . 25.0 113.585 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.495 ' HB2' HG11 ' A' ' 83' ' ' VAL . 62.5 tt0 -55.82 -47.53 77.04 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.523 0.601 . . . . 25.0 110.892 -177.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -72.32 -38.42 68.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.028 0.918 . . . . 25.0 109.946 -173.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.521 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -60.73 -41.09 94.64 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.365 -0.834 . . . . 25.0 109.76 178.609 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 73.7 t -71.33 -35.44 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 122.359 -0.213 . . . . 25.0 110.584 -178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 72' ' ' GLN . 62.0 t -58.25 -45.82 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 109.376 -0.602 . . . . 25.0 109.376 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.4 mt -69.86 -36.48 75.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.087 0.47 . . . . 25.0 111.092 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 t -63.68 -44.75 98.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.876 -0.416 . . . . 25.0 109.876 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.7 88.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.142 -0.349 . . . . 25.0 110.165 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.91 98.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.333 0.587 . . . . 25.0 110.659 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.6 -33.45 72.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.467 0.651 . . . . 25.0 110.114 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 48.5 m -66.83 -43.41 83.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.191 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 72' ' ' GLN . 28.4 m -69.72 -23.88 26.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 O-C-N 121.006 -1.059 . . . . 25.0 111.58 176.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.85 -5.21 8.38 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.632 -0.668 . . . . 25.0 110.798 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -72.7 -24.54 61.01 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.743 1.757 . . . . 25.0 115.743 -173.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -61.27 -21.9 64.35 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.886 0.85 . . . . 25.0 112.069 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.04 -15.27 62.03 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 113.262 0.838 . . . . 25.0 113.262 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 23.4 m-30 -68.27 -0.86 5.2 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.027 0.83 . . . . 25.0 113.05 -177.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -93.29 10.47 31.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.544 0.688 . . . . 25.0 109.453 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -151.77 171.43 17.72 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 100.626 -3.842 . . . . 25.0 100.626 174.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -90.38 78.03 6.49 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 62.8 m . . . . . 0 C--O 1.245 0.866 0 N-CA-C 113.011 0.745 . . . . 25.0 113.011 -175.707 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -0.969 0 CA-C-O 118.706 -1.052 . . . . 25.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -70.69 167.64 18.26 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.194 -1.41 . . . . 25.0 107.194 172.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.91 -38.1 81.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.316 0.579 . . . . 25.0 110.783 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.436 HD12 HG11 ' B' ' 14' ' ' VAL . 2.1 tt -64.54 -40.67 96.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.755 0.788 . . . . 25.0 110.599 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -66.36 -38.04 86.66 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.335 -0.853 . . . . 25.0 111.525 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 p -72.16 -30.21 64.77 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.697 -0.401 . . . . 25.0 109.952 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.47 96.69 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.5 mmm -71.45 -31.04 66.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -69.17 -28.35 66.34 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 119.971 -0.692 . . . . 25.0 109.981 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -61.35 -44.03 97.87 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 122.05 -0.406 . . . . 25.0 110.079 172.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.66 -36.17 82.95 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.562 -0.532 . . . . 25.0 109.562 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.41 -48.76 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -57.29 -51.9 67.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.458 0.17 . . . . 25.0 110.771 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.06 -34.09 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-N 115.915 -0.584 . . . . 25.0 112.438 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.52 -49.25 78.5 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.402 -0.811 . . . . 25.0 109.797 172.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -72.85 -14.13 61.43 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -176.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.21 -48.01 69.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.847 -0.427 . . . . 25.0 109.847 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -83.78 -20.33 33.49 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.541 -0.299 . . . . 25.0 111.198 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.3 m -61.86 150.4 37.51 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-O 122.301 1.048 . . . . 25.0 109.03 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.53 2.12 58.85 Favored Glycine 0 N--CA 1.488 2.116 0 CA-C-O 117.391 -1.783 . . . . 25.0 115.373 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -58.29 -36.13 72.85 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.714 1.257 . . . . 25.0 109.915 174.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -95.78 -17.96 20.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 114.437 1.273 . . . . 25.0 114.437 -173.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.65 -30.95 4.09 Favored Glycine 0 C--O 1.227 -0.291 0 N-CA-C 115.091 0.797 . . . . 25.0 115.091 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -89.33 128.63 35.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.593 -1.632 . . . . 25.0 106.593 173.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -93.21 -14.37 27.19 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 -171.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -104.94 5.75 33.04 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 107.103 -1.443 . . . . 25.0 107.103 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -125.87 154.88 42.08 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.11 136.15 51.72 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 104.585 -2.376 . . . . 25.0 104.585 172.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.66 151.98 45.25 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 119.469 -0.892 . . . . 25.0 109.494 176.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -63.3 -40.25 96.83 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 118.562 0.619 . . . . 25.0 112.594 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -29.32 69.84 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.631 1.105 . . . . 25.0 110.707 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -80.27 -25.1 39.64 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.798 -0.637 . . . . 25.0 110.169 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.421 HD11 ' HD1' ' A' ' 74' ' ' TYR . 18.6 tp -63.61 -35.06 79.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.173 0.511 . . . . 25.0 110.109 176.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB2' HD11 ' A' ' 61' ' ' LEU . 35.1 ttpt -58.91 -36.14 74.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.903 -0.589 . . . . 25.0 110.549 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.31 -46.62 82.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.06 -46.41 89.64 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -62.45 -32.04 72.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.368 0.604 . . . . 25.0 111.132 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -81.73 -19.62 41.03 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 122.862 0.465 . . . . 25.0 111.869 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.7 m -102.15 -52.3 3.18 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.895 0.702 . . . . 25.0 112.895 -176.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -97.26 -16.63 20.25 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 -172.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.43 HD13 HD22 ' B' ' 4' ' ' LEU . 14.8 tp -115.73 11.0 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.137 -1.061 . . . . 25.0 108.137 176.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.87 -38.41 22.39 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.666 1.728 . . . . 25.0 115.666 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.34 -29.53 68.2 Favored Glycine 0 C--O 1.226 -0.37 0 O-C-N 121.682 -0.636 . . . . 25.0 112.182 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -77.34 -29.4 53.44 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.27 -1.011 . . . . 25.0 108.27 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -40.33 77.27 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.33 -30.55 70.97 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.677 0.751 . . . . 25.0 111.049 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.45 24.77 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.382 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -62.86 151.62 38.59 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.424 0.631 . . . . 25.0 110.974 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -124.15 -48.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -86.99 87.07 7.37 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.103 -0.702 . . . . 25.0 109.103 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.4 ' HA ' HG12 ' A' ' 54' ' ' VAL . 35.7 m -63.54 -29.91 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.648 -0.706 . . . . 25.0 110.728 -177.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.13 -39.11 82.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.264 0.554 . . . . 25.0 109.982 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.96 -41.52 25.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.427 0.528 . . . . 25.0 112.427 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' A' ' 51' ' ' VAL . 8.7 p -64.79 -39.79 86.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.874 -0.788 . . . . 25.0 108.874 -176.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -80.33 -28.25 38.19 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.158 -0.473 . . . . 25.0 111.207 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -58.3 -40.55 82.28 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.557 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.83 -42.55 86.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.2 mmt -67.08 -49.28 65.57 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 116.229 -0.442 . . . . 25.0 112.103 -176.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -36.39 81.38 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.576 -0.449 . . . . 25.0 110.524 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.93 -40.97 97.68 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.456 -0.498 . . . . 25.0 110.248 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -77.3 -24.61 50.92 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 119.069 -1.052 . . . . 25.0 109.891 -179.22 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.18 -26.62 67.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.951 0.405 . . . . 25.0 111.92 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -104.07 -11.27 17.45 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.406 0.622 . . . . 25.0 110.973 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -111.83 15.55 20.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.717 -0.674 . . . . 25.0 110.128 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.56 -20.84 64.15 Favored Glycine 0 C--O 1.223 -0.586 0 N-CA-C 116.44 1.336 . . . . 25.0 116.44 -168.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -92.84 9.06 36.89 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.884 0.849 . . . . 25.0 110.783 -173.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.82 -165.75 34.42 Favored Glycine 0 N--CA 1.414 -2.767 1 N-CA-C 102.707 -4.157 . . . . 25.0 102.707 170.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -143.79 168.18 20.54 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 122.465 -0.432 . . . . 25.0 109.946 -175.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.41 162.2 33.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -113.43 -174.26 2.43 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.636 -1.616 . . . . 25.0 106.636 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -53.72 -46.8 70.93 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.495 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.4 tt0 -56.71 -47.68 79.39 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.633 0.651 . . . . 25.0 111.048 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.03 -43.36 74.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.353 1.073 . . . . 25.0 109.193 -173.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.421 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -58.8 -41.72 87.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.773 -1.103 . . . . 25.0 109.86 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 73.8 t -71.34 -36.66 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 122.189 -0.319 . . . . 25.0 111.087 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.1 t -56.75 -44.76 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 109.063 -0.717 . . . . 25.0 109.063 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.8 mt -72.89 -35.72 67.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.087 -0.506 . . . . 25.0 111.664 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.89 -43.68 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.152 -0.685 . . . . 25.0 109.152 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.98 84.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.118 -0.363 . . . . 25.0 110.634 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.47 -43.7 96.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.17 0.51 . . . . 25.0 110.449 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.63 -36.28 80.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.359 0.599 . . . . 25.0 109.561 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 79.2 m -61.43 -45.15 95.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.117 -0.492 . . . . 25.0 111.207 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.4 m -72.92 -28.27 26.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 O-C-N 120.861 -1.15 . . . . 25.0 111.575 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.52 -18.07 64.9 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 121.25 0.548 . . . . 25.0 110.907 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -107.59 -15.56 14.56 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.923 -1.11 . . . . 25.0 113.305 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -48.43 -20.95 0.47 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.536 1.68 . . . . 25.0 115.536 -177.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -54.36 -15.67 1.77 Allowed 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.296 1.221 . . . . 25.0 114.296 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -65.93 -16.46 63.88 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.399 -0.813 . . . . 25.0 111.348 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -105.41 17.82 23.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.071 0.462 . . . . 25.0 110.626 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -123.17 114.26 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.532 0.682 . . . . 25.0 109.647 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -85.78 89.28 7.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 25.0 110.292 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.288 -0.863 . . . . 25.0 110.254 175.732 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.002 0 CA-C-O 118.982 -0.899 . . . . 25.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -76.32 166.16 23.84 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.388 -0.967 . . . . 25.0 108.388 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.07 -33.87 76.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.354 0.597 . . . . 25.0 109.67 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.43 HD22 HD13 ' A' ' 41' ' ' LEU . 4.2 tt -63.66 -41.71 98.16 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.772 0.796 . . . . 25.0 110.561 176.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.44 -38.2 84.16 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.449 -0.782 . . . . 25.0 110.785 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 5.6 p -72.99 -25.78 61.11 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.629 -0.428 . . . . 25.0 110.595 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.84 96.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.0 mmm -70.6 -31.44 68.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.263 0.468 . . . . 25.0 112.263 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.27 -26.9 64.04 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.4 -0.813 . . . . 25.0 109.805 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 34.0 m -63.11 -43.88 97.22 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.11 -37.5 85.32 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.13 -47.3 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -58.74 -48.06 82.5 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 121.176 -0.21 . . . . 25.0 110.952 -177.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.436 HG11 HD12 ' A' ' 4' ' ' LEU . 79.0 t -62.28 -46.45 96.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.932 0.396 . . . . 25.0 110.475 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -61.95 -47.83 83.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.434 0.635 . . . . 25.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -65.93 -26.84 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 25.0 112.478 -175.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.54 94.41 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.812 0.339 . . . . 25.0 111.208 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -88.38 -20.92 24.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.728 -0.214 . . . . 25.0 111.358 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -62.1 157.89 17.98 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.24 1.2 . . . . 25.0 114.24 -175.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.75 0.72 42.66 Favored Glycine 0 C--O 1.226 -0.349 0 CA-C-N 115.181 -0.918 . . . . 25.0 113.419 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -65.84 -44.99 83.89 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 112.373 0.509 . . . . 25.0 112.373 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -95.87 41.89 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 115.608 1.707 . . . . 25.0 115.608 -173.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.4 -30.95 2.99 Favored Glycine 0 C--N 1.31 -0.91 0 N-CA-C 115.606 1.003 . . . . 25.0 115.606 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -99.23 125.56 44.86 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -33.98 76.83 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 114.232 1.197 . . . . 25.0 114.232 -174.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -98.2 10.6 40.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 118.615 0.643 . . . . 25.0 111.278 -172.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -115.61 160.04 20.52 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-O 122.27 1.033 . . . . 25.0 108.34 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.88 133.43 35.77 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 113.22 -1.809 . . . . 25.0 106.489 174.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.74 153.03 44.31 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.614 -0.679 . . . . 25.0 110.69 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -64.44 -41.54 96.49 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -32.07 73.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.948 1.249 . . . . 25.0 110.458 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -72.86 -29.39 63.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.318 -0.855 . . . . 25.0 109.717 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.476 HD22 HG21 ' B' ' 69' ' ' VAL . 14.9 tp -64.97 -30.49 71.48 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.858 -0.61 . . . . 25.0 111.559 178.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.535 ' HB2' HD11 ' B' ' 61' ' ' LEU . 34.1 ttpt -62.83 -37.11 85.49 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 120.436 -0.506 . . . . 25.0 110.038 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.58 -45.13 88.35 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.672 . . . . 25.0 109.184 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.86 -46.67 88.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.02 -0.536 . . . . 25.0 109.955 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 64.5 mt -64.39 -29.08 70.15 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.417 0.627 . . . . 25.0 111.815 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -81.81 -17.74 46.46 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 123.472 0.709 . . . . 25.0 110.981 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -102.4 -59.19 1.74 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.737 -0.665 . . . . 25.0 112.363 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -86.03 -20.49 28.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.904 0.705 . . . . 25.0 112.904 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.451 ' HG ' ' HB2' ' B' ' 44' ' ' PHE . 8.5 tp -113.4 14.36 19.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.826 0.822 . . . . 25.0 109.211 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -49.93 -40.28 42.91 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 116.362 1.986 . . . . 25.0 116.362 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.42 -31.19 61.32 Favored Glycine 0 C--O 1.228 -0.244 0 O-C-N 121.155 -0.966 . . . . 25.0 111.247 -178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.451 ' HB2' ' HG ' ' B' ' 41' ' ' LEU . 4.7 m-30 -70.1 -25.95 63.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.884 -0.774 . . . . 25.0 109.072 175.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.66 -39.75 36.02 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 122.558 0.343 . . . . 25.0 110.534 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.19 -32.2 73.76 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.944 0.878 . . . . 25.0 110.881 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.92 19.85 12.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.767 -0.651 . . . . 25.0 111.216 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -58.79 153.51 16.78 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 120.948 0.404 . . . . 25.0 111.584 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -130.13 -50.83 1.11 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -81.61 88.47 6.22 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.35 -27.99 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.999 0.428 . . . . 25.0 110.913 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.09 -40.03 71.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.393 0.616 . . . . 25.0 109.931 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.75 -37.28 49.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.244 -0.435 . . . . 25.0 111.735 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 p -65.96 -38.41 82.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.536 -0.913 . . . . 25.0 108.536 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -80.46 -27.38 37.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.009 -0.541 . . . . 25.0 111.073 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -35.29 68.72 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 175.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -76.8 -43.83 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.275 0.56 . . . . 25.0 110.041 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.8 mmt -68.63 -50.81 48.46 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.27 -35.68 81.62 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.59 -0.444 . . . . 25.0 110.356 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -62.44 -43.5 98.67 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.583 -0.447 . . . . 25.0 110.469 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -76.9 -23.17 52.56 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 119.51 -0.876 . . . . 25.0 109.648 -178.15 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -63.93 -25.46 68.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.979 0.419 . . . . 25.0 110.966 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -101.66 -20.37 15.04 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.477 0.656 . . . . 25.0 110.826 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -103.73 14.34 31.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.899 -0.592 . . . . 25.0 110.652 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.42 -22.31 63.33 Favored Glycine 0 C--O 1.224 -0.491 0 N-CA-C 115.984 1.154 . . . . 25.0 115.984 -169.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -89.32 4.53 48.55 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.768 0.794 . . . . 25.0 110.166 -174.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.64 -160.87 36.61 Favored Glycine 0 N--CA 1.42 -2.369 0 N-CA-C 104.553 -3.419 . . . . 25.0 104.553 171.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -147.8 171.14 16.17 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 122.303 -0.528 . . . . 25.0 109.779 -177.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.476 HG21 HD22 ' B' ' 33' ' ' LEU . 2.4 m -138.8 165.06 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 177.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.96 -174.13 2.7 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 104.349 -2.463 . . . . 25.0 104.349 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -52.99 -47.28 68.35 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.183 0.808 . . . . 25.0 113.183 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.423 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.7 tt0 -55.03 -48.78 72.94 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.103 0.411 . . . . 25.0 111.176 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -69.33 -43.62 73.35 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.96 0.886 . . . . 25.0 109.844 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -39.77 86.14 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.128 -0.942 . . . . 25.0 110.124 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.61 -37.29 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 122.132 -0.355 . . . . 25.0 110.746 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.43 -43.61 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 121.082 0.468 . . . . 25.0 109.758 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 38.1 mt -70.29 -36.96 74.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.013 0.435 . . . . 25.0 111.179 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.09 -43.49 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.77 82.19 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.954 -0.466 . . . . 25.0 111.151 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.52 98.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.623 0.725 . . . . 25.0 110.103 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -33.48 72.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.465 0.65 . . . . 25.0 109.827 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.1 m -64.32 -44.88 90.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.215 -0.448 . . . . 25.0 110.894 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.476 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.3 m -71.23 -23.74 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.216 -0.927 . . . . 25.0 112.509 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.7 0.59 2.25 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 121.736 0.779 . . . . 25.0 111.282 172.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -66.79 -16.32 64.19 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.131 1.16 . . . . 25.0 114.131 -173.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -57.13 -21.24 30.93 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -56.88 -16.37 6.63 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.157 1.169 . . . . 25.0 114.157 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -66.82 -18.09 65.2 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.311 0.486 . . . . 25.0 112.311 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -101.49 23.32 11.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.15 0.5 . . . . 25.0 111.899 -175.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -136.1 146.85 47.45 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 103.254 -2.869 . . . . 25.0 103.254 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -79.48 78.22 6.02 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.671 -177.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.408 -0.806 . . . . 25.0 110.12 176.219 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.126 0 N-CA-C 111.668 -0.573 . . . . 25.0 111.668 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -73.64 176.78 5.9 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 172.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.79 -42.41 99.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.0 0.429 . . . . 25.0 110.6 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.436 HD22 HD13 ' B' ' 41' ' ' LEU . 3.4 tt -64.45 -41.84 96.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.839 0.828 . . . . 25.0 109.779 177.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.84 -36.4 82.24 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.345 -0.847 . . . . 25.0 112.014 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 p -71.76 -27.04 62.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.177 -0.609 . . . . 25.0 109.627 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.19 85.87 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 174.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.9 mmm -71.26 -32.23 68.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.224 0.824 . . . . 25.0 113.224 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -70.21 -25.3 63.34 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.0 m -66.51 -43.05 86.37 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 122.05 -0.406 . . . . 25.0 110.413 171.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.49 -35.72 76.61 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.62 -49.44 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -57.26 -50.18 73.7 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.208 0.527 . . . . 25.0 110.999 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.55 -0.75 . . . . 25.0 112.184 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.41 -48.54 80.74 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.737 -0.602 . . . . 25.0 110.546 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -71.75 -14.22 61.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.83 62.33 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 122.114 -0.366 . . . . 25.0 110.286 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -83.25 -19.32 36.6 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.4 ' HA ' HD13 ' A' ' 28' ' ' LEU . 61.7 m -61.34 163.49 6.51 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.415 0.447 . . . . 25.0 111.705 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.46 16.15 53.5 Favored Glycine 0 C--O 1.229 -0.214 0 C-N-CA 120.383 -0.913 . . . . 25.0 114.672 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -69.51 -31.53 69.83 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.06 -3.6 47.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.241 -1.345 . . . . 25.0 111.743 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.93 -30.94 9.37 Favored Glycine 0 N--CA 1.469 0.855 0 CA-C-N 116.18 -0.464 . . . . 25.0 113.943 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -83.42 121.08 26.69 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 106.051 -1.833 . . . . 25.0 106.051 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -88.5 -8.15 55.33 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 113.429 0.9 . . . . 25.0 113.429 -168.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -105.7 10.26 32.86 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 107.889 -1.152 . . . . 25.0 107.889 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -135.61 158.59 43.99 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.628 -0.714 . . . . 25.0 109.527 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 19' ' ' SER . 25.5 tp -147.71 137.19 22.51 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.098 0.249 . . . . 25.0 110.563 178.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.78 148.49 50.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.993 -0.442 . . . . 25.0 110.353 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -59.01 -43.08 91.48 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 114.282 1.215 . . . . 25.0 114.282 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -30.51 70.65 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.393 0.997 . . . . 25.0 110.282 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -77.78 -23.56 49.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.385 -0.825 . . . . 25.0 109.419 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.516 HD22 HG21 ' A' ' 69' ' ' VAL . 20.8 tp -70.95 -35.54 72.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.2 -0.454 . . . . 25.0 110.556 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.467 ' HB2' HD11 ' A' ' 61' ' ' LEU . 32.9 ttpt -58.21 -34.51 70.48 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 120.886 -0.326 . . . . 25.0 110.455 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -60.34 -49.03 79.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.41 -46.99 85.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.506 0.67 . . . . 25.0 109.301 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.84 -31.88 73.21 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.783 -0.644 . . . . 25.0 111.889 -178.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -81.81 -22.4 37.12 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 123.066 0.546 . . . . 25.0 110.929 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.2 m -89.75 -56.53 3.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.898 -0.592 . . . . 25.0 110.81 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -84.63 -42.05 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.096 0.406 . . . . 25.0 112.096 -176.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.84 13.13 21.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.163 0.506 . . . . 25.0 111.817 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.35 -35.21 5.2 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.915 1.45 . . . . 25.0 114.915 172.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.28 -35.11 57.09 Favored Glycine 0 C--O 1.228 -0.23 0 C-N-CA 120.588 -0.815 . . . . 25.0 112.268 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -71.33 -30.08 65.77 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.34 -42.27 75.54 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.275 -0.42 . . . . 25.0 110.199 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.46 -30.55 70.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.627 0.727 . . . . 25.0 111.128 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.05 28.67 6.54 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.799 -0.637 . . . . 25.0 111.071 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.52 152.67 37.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.118 0.485 . . . . 25.0 110.079 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -126.99 -50.5 1.45 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.91 88.59 5.3 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.09 -25.47 35.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.987 -0.551 . . . . 25.0 110.042 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.79 -40.76 69.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.12 -36.15 48.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.354 0.502 . . . . 25.0 112.354 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.16 -39.69 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 107.818 -1.179 . . . . 25.0 107.818 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -80.32 -28.81 38.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.521 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -33.86 65.64 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 177.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.0 t -82.74 -45.56 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.411 -0.516 . . . . 25.0 110.421 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.6 mmt -66.83 -50.24 63.21 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 112.94 0.718 . . . . 25.0 112.94 -174.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -36.64 84.78 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.849 -0.34 . . . . 25.0 110.3 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.49 -42.09 96.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.614 -0.266 . . . . 25.0 110.721 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.04 -25.78 48.0 Favored 'General case' 0 C--O 1.201 -1.481 0 C-N-CA 119.161 -1.016 . . . . 25.0 109.587 -176.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.02 -21.89 66.91 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.623 0.601 . . . . 25.0 112.623 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -96.57 -26.77 15.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.725 0.774 . . . . 25.0 109.8 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -98.85 15.13 26.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.343 -0.844 . . . . 25.0 110.908 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.29 -21.13 66.02 Favored Glycine 0 C--O 1.217 -0.945 0 N-CA-C 116.201 1.241 . . . . 25.0 116.201 -166.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -89.64 5.29 46.4 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.742 0.782 . . . . 25.0 110.714 -173.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.11 -156.26 30.33 Favored Glycine 0 N--CA 1.416 -2.636 0 N-CA-C 104.783 -3.327 . . . . 25.0 104.783 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.81 167.34 29.98 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 122.279 -0.542 . . . . 25.0 110.184 -173.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.516 HG21 HD22 ' A' ' 33' ' ' LEU . 3.6 m -140.74 170.4 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.885 -1.052 . . . . 25.0 109.532 -179.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -124.38 -174.15 2.94 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.512 -1.662 . . . . 25.0 106.512 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -52.13 -48.91 64.62 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.539 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.4 tt0 -54.95 -47.43 74.51 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.705 0.684 . . . . 25.0 110.778 -177.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -46.41 72.51 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 122.223 1.011 . . . . 25.0 108.855 -174.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -39.45 80.86 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.878 -1.055 . . . . 25.0 111.364 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.1 t -71.39 -36.98 63.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 121.182 -0.207 . . . . 25.0 110.679 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.442 HG22 HG22 ' B' ' 76' ' ' VAL . 53.3 t -61.5 -43.21 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.091 0.472 . . . . 25.0 109.84 177.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.1 mt -70.11 -36.25 74.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.102 0.477 . . . . 25.0 110.674 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.04 -44.18 99.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.0 82.47 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.024 -0.422 . . . . 25.0 111.553 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.2 99.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.348 0.594 . . . . 25.0 110.459 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -35.39 72.59 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.313 -0.555 . . . . 25.0 109.505 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.6 m -58.92 -45.44 90.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.156 -0.34 . . . . 25.0 110.902 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' B' ' 72' ' ' GLN . 30.0 m -73.84 -24.2 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 119.15 0.886 . . . . 25.0 113.068 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.5 -20.16 65.97 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -62.39 -22.56 66.24 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.522 1.129 . . . . 25.0 113.363 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -56.09 -17.13 6.22 Favored 'General case' 0 C--O 1.211 -0.948 0 N-CA-C 114.985 1.476 . . . . 25.0 114.985 173.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -42.28 -20.23 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 168.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -55.73 -29.63 59.83 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.603 0.761 . . . . 25.0 112.686 172.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -106.4 22.7 15.35 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.333 0.653 . . . . 25.0 111.558 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.74 -177.9 4.83 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 106.437 -1.69 . . . . 25.0 106.437 -175.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -90.43 77.81 6.49 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 104.514 -2.402 . . . . 25.0 104.514 166.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.7 t . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 116.394 -1.765 . . . . 25.0 110.269 172.559 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.591 0 CA-C-O 119.626 -0.541 . . . . 25.0 111.828 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.9 p -70.05 178.57 2.68 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 172.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -60.21 -43.72 95.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.275 0.559 . . . . 25.0 110.669 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 tt -67.35 -41.82 84.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.522 0.677 . . . . 25.0 109.772 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.72 -34.36 77.67 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 121.263 -0.898 . . . . 25.0 111.149 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -71.55 -28.36 63.81 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.111 -0.636 . . . . 25.0 110.309 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.03 86.74 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 174.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.7 mmm -71.42 -33.51 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.364 0.876 . . . . 25.0 113.364 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.68 -28.45 66.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 59.5 m -64.08 -44.94 90.82 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 122.155 -0.34 . . . . 25.0 110.461 171.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.97 -36.78 77.87 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.43 -46.84 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.41 -45.81 87.69 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.371 0.605 . . . . 25.0 111.002 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.43 HG11 HD12 ' A' ' 4' ' ' LEU . 78.8 t -64.88 -44.89 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 116.081 -0.508 . . . . 25.0 111.138 -178.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.42 -47.47 85.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.594 0.711 . . . . 25.0 110.205 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -63.25 -27.05 69.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.424 -0.807 . . . . 25.0 111.668 -176.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.1 75.03 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -86.18 -16.91 36.32 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 111.779 0.289 . . . . 25.0 111.779 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.0 m -60.33 156.79 14.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.163 0.506 . . . . 25.0 111.178 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.06 -7.49 37.89 Favored Glycine 0 C--O 1.223 -0.577 0 C-N-CA 120.885 -0.674 . . . . 25.0 113.151 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -63.19 -33.91 76.51 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.609 0.719 . . . . 25.0 109.405 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -72.17 -29.64 64.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.689 -1.142 . . . . 25.0 111.684 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.87 -30.83 5.56 Favored Glycine 0 C--N 1.322 -0.235 0 N-CA-C 109.57 -1.412 . . . . 25.0 109.57 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -93.04 135.72 33.95 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 171.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -87.13 -10.33 53.05 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -98.18 9.22 43.45 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -130.34 155.49 46.27 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.796 -0.638 . . . . 25.0 112.484 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -145.66 133.54 21.27 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 116.257 -0.429 . . . . 25.0 109.945 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.51 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 5.3 m -69.89 148.85 48.5 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.744 -0.598 . . . . 25.0 111.2 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -59.48 -48.79 80.31 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.612 1.338 . . . . 25.0 114.612 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -32.56 66.15 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 118.489 0.586 . . . . 25.0 112.211 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -77.61 -24.54 49.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.369 0.604 . . . . 25.0 110.33 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 tp -67.6 -30.67 70.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.813 -0.554 . . . . 25.0 110.448 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.547 ' HB2' HD11 ' B' ' 61' ' ' LEU . 32.5 ttpt -61.85 -31.84 72.13 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 120.299 -0.56 . . . . 25.0 110.267 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -64.12 -47.43 79.99 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.098 -0.704 . . . . 25.0 109.098 177.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.09 -46.96 87.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.87 -31.84 72.96 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 115.59 -0.732 . . . . 25.0 111.743 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -81.67 -22.41 37.52 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.965 -0.459 . . . . 25.0 111.092 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 53.8 m -90.35 -52.4 4.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.877 -0.601 . . . . 25.0 111.892 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -92.36 -40.09 11.1 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.646 0.61 . . . . 25.0 112.646 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.436 HD13 HD22 ' A' ' 4' ' ' LEU . 8.7 tp -89.44 10.17 23.62 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.529 0.681 . . . . 25.0 109.738 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -39.44 30.47 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 115.458 1.651 . . . . 25.0 115.458 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.53 -30.67 61.84 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 120.557 -0.83 . . . . 25.0 111.282 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -73.63 -30.5 62.99 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.687 -0.89 . . . . 25.0 109.03 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.29 -38.99 82.21 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.68 -36.66 81.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.52 0.676 . . . . 25.0 111.3 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.09 39.94 1.55 Allowed 'General case' 0 C--O 1.247 0.941 0 CA-C-O 121.724 0.774 . . . . 25.0 109.708 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -71.75 162.02 30.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.917 -1.038 . . . . 25.0 108.3 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -131.09 -50.96 1.02 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.287 -0.635 . . . . 25.0 109.287 176.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -84.87 92.63 8.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.526 0.679 . . . . 25.0 109.873 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 29.0 m -66.0 -21.35 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.386 -0.825 . . . . 25.0 112.996 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -81.59 -47.57 12.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.91 70.66 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.247 0.462 . . . . 25.0 112.247 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.19 -38.76 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.29 -28.4 57.0 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.302 -0.863 . . . . 25.0 111.263 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -59.61 -38.64 81.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.019 -0.426 . . . . 25.0 111.585 177.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 50.0 t -68.56 -40.84 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 122.277 1.037 . . . . 25.0 108.717 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.4 mmt -72.02 -46.53 56.77 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 115.138 -0.937 . . . . 25.0 111.829 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -36.0 82.48 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.143 -0.317 . . . . 25.0 110.143 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -59.48 -48.78 80.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -79.21 -20.55 48.0 Favored 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 118.685 -1.206 . . . . 25.0 110.488 -174.186 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.91 -26.91 68.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.037 0.446 . . . . 25.0 110.894 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -103.0 -25.35 13.48 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.472 0.653 . . . . 25.0 110.747 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -94.82 21.77 7.15 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.84 22.9 4.61 Favored Glycine 0 C--O 1.213 -1.209 0 CA-C-N 115.562 -0.744 . . . . 25.0 112.327 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -115.96 -1.91 12.43 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 122.527 -0.396 . . . . 25.0 110.246 167.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.47 -155.99 32.29 Favored Glycine 0 N--CA 1.433 -1.527 0 N-CA-C 109.551 -1.42 . . . . 25.0 109.551 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.51 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 11.8 pt-20 -155.46 163.52 39.92 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 113.809 -1.196 . . . . 25.0 110.175 -169.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 m -141.93 168.25 15.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 122.097 0.951 . . . . 25.0 110.851 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -120.58 -174.2 2.75 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 105.157 -2.164 . . . . 25.0 105.157 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.96 -46.71 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.496 0.924 . . . . 25.0 113.496 177.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.494 ' O ' HG23 ' B' ' 76' ' ' VAL . 65.2 tt0 -54.95 -46.85 75.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.975 0.352 . . . . 25.0 111.343 -177.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.54 -39.74 70.5 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.107 0.956 . . . . 25.0 108.98 -173.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -38.81 86.78 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.237 -0.892 . . . . 25.0 109.829 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 72.6 t -71.97 -36.22 56.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 121.173 -0.211 . . . . 25.0 110.561 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 72' ' ' GLN . 75.3 t -57.73 -46.66 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 176.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 mt -69.29 -38.41 78.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 25.0 111.255 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.7 -43.86 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.49 -36.47 81.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.957 -0.464 . . . . 25.0 110.743 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.14 -41.23 97.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.278 0.561 . . . . 25.0 110.2 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 tt -68.58 -35.77 77.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.448 0.642 . . . . 25.0 109.488 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -64.46 -40.2 95.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.378 -0.373 . . . . 25.0 111.834 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.539 HG11 ' HB2' ' A' ' 72' ' ' GLN . 20.8 m -71.28 -23.84 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 120.783 -1.198 . . . . 25.0 112.343 177.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.26 0.24 4.01 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.412 0.625 . . . . 25.0 111.131 171.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -78.73 -15.45 58.43 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.472 -1.393 . . . . 25.0 109.094 177.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -55.47 -21.09 14.83 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.405 -0.816 . . . . 25.0 110.756 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -50.32 -31.63 14.95 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.511 1.124 . . . . 25.0 113.822 174.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -91.34 -11.77 36.94 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.515 -0.74 . . . . 25.0 112.048 -178.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -104.95 7.66 34.26 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 122.805 0.442 . . . . 25.0 111.459 -174.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -153.36 174.22 14.61 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 101.527 -3.509 . . . . 25.0 101.527 -177.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -75.3 78.44 2.39 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 122.957 0.503 . . . . 25.0 110.705 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.254 1.326 0 N-CA-C 114.454 1.279 . . . . 25.0 114.454 176.663 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 CA-C-O 119.466 -0.63 . . . . 25.0 111.615 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.91 170.97 7.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 174.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.48 -39.52 84.0 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.339 0.59 . . . . 25.0 110.259 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.692 HD11 HD13 ' B' ' 11' ' ' LEU . 13.4 tp -68.15 -32.99 73.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.925 0.869 . . . . 25.0 112.277 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -74.23 -34.95 63.82 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.009 -0.541 . . . . 25.0 110.346 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.9 p -72.8 -26.11 61.4 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.99 86.14 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 173.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.4 mmm -70.09 -33.05 71.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.173 0.805 . . . . 25.0 113.173 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -70.58 -25.4 63.05 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 120.026 -0.67 . . . . 25.0 109.563 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.4 m -65.13 -42.56 93.75 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.118 -0.364 . . . . 25.0 110.552 172.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.2 -35.87 76.38 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.898 -0.779 . . . . 25.0 108.898 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.58 -45.68 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -59.57 -48.82 80.15 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 122.126 -0.359 . . . . 25.0 110.747 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.76 -43.36 98.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.52 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -62.43 -49.13 76.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.128 0.489 . . . . 25.0 109.979 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -61.08 -30.47 70.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.855 -0.611 . . . . 25.0 112.176 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.08 75.4 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 111.738 0.273 . . . . 25.0 111.738 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -83.92 -19.32 34.91 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 111.697 0.258 . . . . 25.0 111.697 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.8 m -61.14 167.8 2.87 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.38 -5.82 65.36 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 120.984 -0.627 . . . . 25.0 112.157 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -63.12 -39.24 94.11 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 177.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -96.84 41.65 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.711 1.375 . . . . 25.0 114.711 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.48 -30.96 3.01 Favored Glycine 0 C--N 1.306 -1.093 0 N-CA-C 117.329 1.692 . . . . 25.0 117.329 173.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -119.69 137.77 53.7 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 117.866 0.833 . . . . 25.0 109.246 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -78.9 -12.25 60.02 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 113.92 1.082 . . . . 25.0 113.92 -174.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -91.34 4.18 53.03 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.763 -0.829 . . . . 25.0 108.763 175.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -131.98 151.6 51.63 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.104 0.478 . . . . 25.0 111.899 -176.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -138.79 134.79 33.9 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 109.095 -0.705 . . . . 25.0 109.095 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -65.07 147.69 53.02 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 111.908 0.336 . . . . 25.0 111.908 179.11 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -63.13 -47.14 84.04 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.061 0.763 . . . . 25.0 113.061 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -58.75 -29.02 66.43 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.407 0.549 . . . . 25.0 111.908 176.552 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -83.01 -23.76 33.15 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 121.554 0.693 . . . . 25.0 110.876 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD11 ' HD1' ' A' ' 74' ' ' TYR . 17.7 tp -64.69 -32.8 74.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.129 0.49 . . . . 25.0 109.841 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HB2' HD11 ' A' ' 61' ' ' LEU . 25.8 tttp -55.18 -38.71 68.7 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.751 -0.659 . . . . 25.0 110.983 177.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.3 -48.51 75.4 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.273 -0.639 . . . . 25.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.11 -45.74 90.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.65 0.738 . . . . 25.0 109.411 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.79 -30.61 71.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.563 -0.744 . . . . 25.0 111.976 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -81.78 -22.68 37.03 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 122.841 0.456 . . . . 25.0 111.736 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -93.88 -52.67 4.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.99 -0.55 . . . . 25.0 112.123 -174.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -91.28 -42.67 10.26 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.366 0.603 . . . . 25.0 112.011 -176.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD13 HD22 ' B' ' 4' ' ' LEU . 9.9 tp -87.36 8.26 25.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.837 -0.619 . . . . 25.0 110.119 -178.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.04 -37.04 8.71 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 116.239 1.94 . . . . 25.0 116.239 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.99 -36.8 56.9 Favored Glycine 0 C--O 1.224 -0.507 0 C-N-CA 120.141 -1.028 . . . . 25.0 111.209 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -71.8 -29.74 64.78 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 176.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.7 tp -68.83 -42.95 76.47 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 121.418 0.627 . . . . 25.0 109.803 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.2 -32.71 73.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.524 -0.762 . . . . 25.0 111.716 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.71 22.49 4.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.307 -0.406 . . . . 25.0 110.436 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.33 152.45 29.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.088 0.47 . . . . 25.0 110.189 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -135.04 -50.36 0.76 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.15 86.78 4.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.81 -1.182 . . . . 25.0 107.81 172.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.8 m -64.79 -25.2 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.745 -0.661 . . . . 25.0 110.538 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.24 -38.62 82.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.187 0.518 . . . . 25.0 110.501 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.2 -39.03 23.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 -176.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -65.57 -38.13 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.612 0.72 . . . . 25.0 109.394 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -78.9 -26.33 43.79 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.516 -0.765 . . . . 25.0 109.629 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -60.97 -37.35 82.12 Favored 'General case' 0 C--O 1.215 -0.741 0 C-N-CA 120.84 -0.344 . . . . 25.0 111.442 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.73 -42.13 80.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 122.053 0.93 . . . . 25.0 108.842 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.7 mmt -70.49 -46.67 63.29 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.373 -0.83 . . . . 25.0 111.75 -176.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -35.37 80.62 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.428 -0.212 . . . . 25.0 110.428 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -60.24 -48.06 83.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -79.25 -20.18 48.81 Favored 'General case' 0 C--O 1.21 -0.982 0 C-N-CA 118.933 -1.107 . . . . 25.0 110.624 -174.796 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.04 -27.35 69.35 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.073 0.463 . . . . 25.0 110.747 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -103.56 -23.77 13.47 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.393 0.616 . . . . 25.0 110.955 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -96.65 19.83 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.009 -0.541 . . . . 25.0 110.309 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.33 20.77 3.88 Favored Glycine 0 C--O 1.218 -0.883 0 CA-C-O 121.841 0.689 . . . . 25.0 112.636 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -99.27 -29.89 12.55 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.62 -152.93 29.08 Favored Glycine 0 N--CA 1.438 -1.211 0 CA-C-O 123.295 1.497 . . . . 25.0 113.974 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -152.93 165.41 35.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 112.988 -1.606 . . . . 25.0 110.385 -171.727 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 m -134.95 173.12 14.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.278 -0.874 . . . . 25.0 110.492 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -121.41 -174.25 2.81 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 106.201 -1.777 . . . . 25.0 106.201 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -53.85 -49.08 69.25 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 177.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.1 tt0 -55.75 -45.05 78.11 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.102 0.41 . . . . 25.0 111.034 -176.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -44.26 71.48 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.123 0.963 . . . . 25.0 109.553 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.407 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -58.43 -38.81 78.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.028 -0.987 . . . . 25.0 110.27 -178.792 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' B' ' 79' ' ' ALA . 82.8 t -72.89 -36.16 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 122.223 -0.298 . . . . 25.0 110.921 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 72' ' ' GLN . 72.6 t -58.4 -46.32 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 176.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.81 -36.98 76.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.84 -0.618 . . . . 25.0 110.923 -177.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.0 t -63.08 -44.8 99.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 175.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.61 88.12 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.051 -0.405 . . . . 25.0 110.554 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.06 95.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.412 0.625 . . . . 25.0 110.463 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.47 -37.34 82.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.451 0.643 . . . . 25.0 109.586 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.2 m -62.46 -43.61 98.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.169 -0.469 . . . . 25.0 111.733 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.489 HG11 ' HB2' ' B' ' 72' ' ' GLN . 23.5 m -70.63 -23.97 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 120.706 -1.246 . . . . 25.0 112.183 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.95 -26.71 68.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.235 0.541 . . . . 25.0 110.717 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -95.83 -15.49 22.46 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.642 -1.286 . . . . 25.0 109.185 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -46.59 -26.56 0.92 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.181 0.992 . . . . 25.0 113.353 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.68 -16.4 1.63 Allowed 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.874 1.064 . . . . 25.0 113.874 174.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.21 -23.33 67.38 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 121.043 -1.035 . . . . 25.0 112.476 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -110.71 -7.6 14.64 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 -173.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -155.97 128.78 7.91 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.33 -0.85 . . . . 25.0 109.847 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.57 78.87 3.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.629 0.728 . . . . 25.0 110.301 -179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.244 0.806 0 CA-C-O 116.124 -1.894 . . . . 25.0 106.999 177.736 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.482 0 CA-C-O 119.406 -0.663 . . . . 25.0 111.934 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.99 -179.45 0.73 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 117.431 0.616 . . . . 25.0 111.018 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.46 -46.01 91.85 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.414 0.626 . . . . 25.0 110.486 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.409 HD22 HD13 ' A' ' 41' ' ' LEU . 3.4 tt -65.98 -40.65 91.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.035 0.921 . . . . 25.0 109.723 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -68.16 -35.03 77.42 Favored 'General case' 0 C--N 1.315 -0.914 0 O-C-N 121.458 -0.776 . . . . 25.0 111.939 -176.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.5 p -73.84 -31.15 63.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 176.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.8 -48.02 82.75 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 172.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mmm -72.23 -29.74 64.24 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -72.82 -24.42 60.9 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.363 -0.835 . . . . 25.0 109.526 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -63.51 -44.46 94.26 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 170.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.692 HD13 HD11 ' A' ' 4' ' ' LEU . 3.9 mm? -62.2 -38.6 89.76 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.68 -48.31 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -58.15 -49.6 76.42 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.776 0.322 . . . . 25.0 110.583 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -67.41 -42.82 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-N 115.602 -0.726 . . . . 25.0 111.968 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.438 ' HB2' ' CE2' ' B' ' 74' ' ' TYR . 83.3 t80 -59.36 -51.23 70.79 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.586 -0.696 . . . . 25.0 110.38 178.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -71.34 -14.67 62.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.85 54.84 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 175.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -78.96 -24.67 43.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.662 -0.244 . . . . 25.0 111.449 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -59.97 158.35 11.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.334 0.588 . . . . 25.0 111.613 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.57 2.06 61.8 Favored Glycine 0 C--O 1.222 -0.599 0 C-N-CA 120.817 -0.706 . . . . 25.0 114.212 -178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -59.4 -40.28 86.11 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.667 0.746 . . . . 25.0 109.179 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -77.43 -25.73 50.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.55 -1.205 . . . . 25.0 113.099 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.69 -30.87 4.1 Favored Glycine 0 CA--C 1.52 0.346 0 CA-C-N 115.592 -0.731 . . . . 25.0 113.96 -175.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -92.65 118.09 30.67 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.646 -1.612 . . . . 25.0 106.646 172.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -70.19 -15.34 62.93 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 115.563 1.69 . . . . 25.0 115.563 -172.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -102.34 7.47 40.53 Favored 'General case' 0 C--N 1.31 -1.138 0 C-N-CA 120.42 -0.512 . . . . 25.0 110.393 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -120.58 154.22 35.7 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 123.584 0.754 . . . . 25.0 110.542 174.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.0 tp -132.43 129.71 39.64 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 173.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.29 146.42 54.4 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.0 -40.49 89.42 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -29.55 70.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.633 1.106 . . . . 25.0 109.928 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.56 -23.71 39.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.616 0.722 . . . . 25.0 110.217 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.539 HD11 ' HD1' ' B' ' 74' ' ' TYR . 19.2 tp -66.12 -35.31 80.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.214 0.531 . . . . 25.0 109.908 175.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.55 ' HB2' HD11 ' B' ' 61' ' ' LEU . 31.4 ttpt -61.26 -33.92 74.33 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 116.028 -0.533 . . . . 25.0 110.369 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -63.05 -48.5 78.43 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.86 -46.6 87.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.42 0.628 . . . . 25.0 109.386 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.32 -32.11 72.82 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.859 -0.609 . . . . 25.0 112.162 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -81.95 -22.34 36.73 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.498 0.719 . . . . 25.0 110.847 -178.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 55.7 m -91.9 -60.62 1.82 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.922 -0.581 . . . . 25.0 111.084 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -81.37 -42.63 20.19 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.054 0.454 . . . . 25.0 111.999 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.95 13.72 17.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.154 0.502 . . . . 25.0 111.957 -177.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.12 -35.56 11.71 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.709 1.374 . . . . 25.0 114.709 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.19 -33.17 59.49 Favored Glycine 0 C--O 1.227 -0.284 0 C-N-CA 120.532 -0.842 . . . . 25.0 112.106 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -71.01 -31.74 68.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.207 -1.035 . . . . 25.0 108.207 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -69.24 -41.48 76.93 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 110.075 -0.342 . . . . 25.0 110.075 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.06 -31.46 72.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.607 0.718 . . . . 25.0 111.284 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.17 27.64 7.03 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 115.924 -0.58 . . . . 25.0 110.914 -176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -63.91 152.65 39.26 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -124.51 -49.52 1.78 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 174.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -82.09 87.8 6.47 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.7 m -63.92 -24.01 34.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 115.666 -0.697 . . . . 25.0 110.801 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -76.2 -40.29 52.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.52 -0.309 . . . . 25.0 110.773 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.5 -35.93 53.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 p -63.34 -38.56 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 107.861 -1.163 . . . . 25.0 107.861 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -77.23 -29.59 54.16 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.275 -0.875 . . . . 25.0 111.261 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -26.43 68.24 Favored 'General case' 0 C--O 1.21 -1.014 0 C-N-CA 121.137 -0.225 . . . . 25.0 111.467 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 66.1 t -85.47 -45.42 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.573 0.701 . . . . 25.0 109.724 175.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 mmt -68.05 -53.4 25.93 Favored 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 -173.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -35.58 80.93 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.784 -0.45 . . . . 25.0 109.784 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -60.71 -46.16 91.47 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.555 -0.458 . . . . 25.0 109.926 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.55 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.74 -22.66 49.95 Favored 'General case' 0 C--O 1.207 -1.134 0 C-N-CA 119.029 -1.069 . . . . 25.0 110.857 -177.208 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.57 -26.79 67.2 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 111.81 0.3 . . . . 25.0 111.81 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -106.11 -21.47 13.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.546 0.688 . . . . 25.0 111.488 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -96.53 15.87 20.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.657 0.742 . . . . 25.0 109.564 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.75 -19.96 65.76 Favored Glycine 0 C--O 1.217 -0.919 0 N-CA-C 115.341 0.896 . . . . 25.0 115.341 -170.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.0 6.74 43.56 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.929 0.871 . . . . 25.0 110.748 -171.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.15 -156.61 32.9 Favored Glycine 0 N--CA 1.418 -2.545 0 N-CA-C 104.376 -3.489 . . . . 25.0 104.376 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -149.6 169.42 21.01 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 122.044 -0.68 . . . . 25.0 109.694 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.9 166.02 23.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.956 -1.02 . . . . 25.0 108.838 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -118.71 -174.09 2.62 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.632 -1.988 . . . . 25.0 105.632 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -53.98 -46.28 71.63 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.489 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.4 tt0 -55.48 -46.43 76.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 118.172 0.442 . . . . 25.0 111.69 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.29 -46.44 64.3 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.92 -1.141 . . . . 25.0 107.92 -174.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.539 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.7 OUTLIER -57.41 -40.55 78.53 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.459 -1.246 . . . . 25.0 111.38 -176.09 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.23 -37.57 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 122.39 -0.194 . . . . 25.0 110.722 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.445 HG22 HG22 ' A' ' 76' ' ' VAL . 54.7 t -60.49 -43.62 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.7 -37.3 76.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.886 0.374 . . . . 25.0 110.912 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -63.56 -42.28 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.427 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -68.83 -35.31 76.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.904 -0.497 . . . . 25.0 111.916 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.56 97.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.293 0.568 . . . . 25.0 109.607 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -36.4 77.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.358 0.599 . . . . 25.0 109.59 177.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 47.9 m -60.25 -44.86 94.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.184 -0.462 . . . . 25.0 110.818 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.441 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.8 m -74.41 -23.9 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 121.253 -0.904 . . . . 25.0 112.587 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.37 -21.71 66.24 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.866 0.841 . . . . 25.0 109.472 173.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -68.25 -16.66 64.05 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.541 1.312 . . . . 25.0 114.541 -175.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -54.61 -20.06 7.27 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 115.254 1.576 . . . . 25.0 115.254 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -43.8 -15.92 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 114.354 1.242 . . . . 25.0 114.354 171.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -54.36 -28.92 46.26 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.115 0.566 . . . . 25.0 111.999 173.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -107.36 21.48 17.43 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.066 0.395 . . . . 25.0 112.066 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -114.29 111.7 21.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.767 0.794 . . . . 25.0 109.633 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -86.36 78.44 9.28 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 177.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.358 -0.83 . . . . 25.0 110.115 178.134 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.89 0 CA-C-O 118.817 -0.99 . . . . 25.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m -69.89 170.57 10.89 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 175.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -62.44 -39.66 94.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.135 0.493 . . . . 25.0 109.76 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.422 HD12 HG11 ' B' ' 14' ' ' VAL . 1.5 tt -65.16 -41.77 94.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.568 0.699 . . . . 25.0 111.022 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -63.98 -37.96 89.33 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.631 -0.668 . . . . 25.0 111.115 -176.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -77.64 -27.86 51.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.262 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.61 96.18 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.436 -0.949 . . . . 25.0 108.436 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -71.54 -31.8 67.42 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.21 -28.02 66.0 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -64.35 -43.05 95.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.82 0.343 . . . . 25.0 110.335 173.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.07 -33.64 73.64 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.49 -45.28 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -58.5 -46.61 86.34 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.489 0.661 . . . . 25.0 110.408 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG11 HD12 ' B' ' 4' ' ' LEU . 72.8 t -65.92 -42.67 92.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.24 -0.891 . . . . 25.0 111.592 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.24 -43.98 95.62 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.553 -0.717 . . . . 25.0 109.35 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -66.02 -17.55 64.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.48 -49.3 67.06 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.822 -0.549 . . . . 25.0 111.252 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -94.59 -11.78 28.75 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.403 ' HA ' HD13 ' A' ' 28' ' ' LEU . 96.1 p -62.94 165.19 7.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.137 0.494 . . . . 25.0 111.021 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.43 -7.71 61.88 Favored Glycine 0 C--O 1.221 -0.718 0 C-N-CA 120.052 -1.071 . . . . 25.0 113.56 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -25.27 66.78 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 117.416 0.608 . . . . 25.0 109.496 175.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -77.37 -29.34 53.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.748 0.785 . . . . 25.0 111.108 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.67 -30.95 5.18 Favored Glycine 0 C--O 1.229 -0.21 0 N-CA-C 110.755 -0.938 . . . . 25.0 110.755 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -98.41 143.39 28.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.176 -1.416 . . . . 25.0 107.176 173.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -91.38 -9.34 45.14 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 115.476 1.658 . . . . 25.0 115.476 -170.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -105.86 16.44 25.18 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 107.159 -1.423 . . . . 25.0 107.159 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -133.77 158.68 42.73 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.626 -1.17 . . . . 25.0 110.642 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 19' ' ' SER . 14.7 tp -153.81 136.05 14.87 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.494 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 4.3 m -67.31 149.92 49.7 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.853 -0.529 . . . . 25.0 111.381 179.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -58.96 -51.67 69.07 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.827 1.047 . . . . 25.0 113.827 -175.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -28.94 61.88 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.917 0.71 . . . . 25.0 112.917 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -79.37 -23.51 43.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.974 0.416 . . . . 25.0 110.631 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.0 tp -69.91 -25.63 63.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.863 -0.523 . . . . 25.0 110.734 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HB2' HD11 ' A' ' 61' ' ' LEU . 44.6 tttp -56.09 -40.78 74.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.112 0.482 . . . . 25.0 109.749 176.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.41 -46.51 82.93 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.865 -0.607 . . . . 25.0 110.04 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.62 -47.07 87.03 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.936 -0.764 . . . . 25.0 108.936 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.28 -30.57 71.22 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 116.072 -0.513 . . . . 25.0 111.611 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -82.18 -22.15 36.15 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 122.082 -0.386 . . . . 25.0 111.865 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.1 m -94.64 -50.58 5.11 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.767 -176.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -98.18 -19.4 17.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.404 HD13 HD22 ' B' ' 4' ' ' LEU . 12.0 tp -112.26 12.44 20.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.443 -0.947 . . . . 25.0 108.443 176.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.02 -44.01 9.68 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 116.898 2.184 . . . . 25.0 116.898 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.52 -30.9 59.48 Favored Glycine 0 C--O 1.225 -0.455 0 O-C-N 121.402 -0.811 . . . . 25.0 111.68 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -73.28 -23.63 60.33 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -78.56 -38.9 39.19 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 123.051 0.54 . . . . 25.0 110.275 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.45 -30.59 70.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.558 0.694 . . . . 25.0 111.176 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.98 21.91 7.14 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.972 -0.558 . . . . 25.0 110.928 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.89 152.57 27.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.319 . . . . 25.0 110.693 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -133.9 -54.58 0.87 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.508 -0.314 . . . . 25.0 110.197 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -78.19 90.79 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.725 -1.213 . . . . 25.0 107.725 171.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.76 -26.65 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.182 0.515 . . . . 25.0 110.462 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.47 -39.24 77.84 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.253 0.549 . . . . 25.0 109.656 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.62 -36.24 38.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.916 -175.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.59 -38.68 82.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 108.601 -0.889 . . . . 25.0 108.601 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -80.64 -24.84 38.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.031 -0.532 . . . . 25.0 110.883 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -31.45 65.22 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 109.57 -0.53 . . . . 25.0 109.57 174.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.2 t -82.06 -44.84 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.367 0.604 . . . . 25.0 110.19 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.5 mmt -68.54 -51.99 36.85 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 113.224 0.824 . . . . 25.0 113.224 -174.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -36.33 83.36 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.958 -0.386 . . . . 25.0 109.958 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -61.3 -43.69 98.45 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.628 -0.429 . . . . 25.0 110.701 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -77.97 -23.09 48.55 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 119.214 -0.994 . . . . 25.0 109.797 -177.326 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.94 -26.04 67.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.178 0.513 . . . . 25.0 110.421 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -97.93 -25.8 14.87 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.716 0.77 . . . . 25.0 110.122 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -95.26 19.23 10.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.572 -0.74 . . . . 25.0 109.336 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.44 25.2 1.37 Allowed Glycine 0 C--O 1.22 -0.754 0 CA-C-N 115.904 -0.589 . . . . 25.0 114.348 -176.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -115.86 -13.88 11.33 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.772 0.32 . . . . 25.0 110.542 172.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.92 -154.48 29.7 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-O 122.868 1.26 . . . . 25.0 111.735 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.494 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 11.3 pt-20 -152.9 165.01 36.8 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 113.815 -1.193 . . . . 25.0 110.447 -170.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 m -142.58 167.86 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 123.876 0.735 . . . . 25.0 110.758 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -120.98 -174.18 2.77 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 106.006 -1.85 . . . . 25.0 106.006 174.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -53.35 -48.12 68.81 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.504 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.6 tt0 -55.35 -45.92 76.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.168 0.44 . . . . 25.0 110.853 -177.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.42 -42.12 75.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.122 0.963 . . . . 25.0 109.965 -175.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.96 -39.52 89.86 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.223 -0.898 . . . . 25.0 110.031 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 81.0 t -71.29 -35.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 122.284 -0.26 . . . . 25.0 110.853 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 72' ' ' GLN . 71.5 t -57.96 -44.88 87.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 176.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.4 mt -70.8 -36.25 72.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.346 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 t -63.88 -44.11 97.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.789 -0.449 . . . . 25.0 109.789 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.24 85.16 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.901 -0.5 . . . . 25.0 110.48 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.47 99.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.377 0.608 . . . . 25.0 110.488 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.95 -36.23 79.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.423 0.63 . . . . 25.0 109.828 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.5 m -62.27 -48.31 80.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.211 -0.449 . . . . 25.0 111.123 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.482 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.2 m -67.35 -18.87 24.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 N-CA-C 113.79 1.033 . . . . 25.0 113.79 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.85 0.3 0.38 Allowed 'General case' 0 CA--C 1.55 0.956 0 CA-C-O 121.292 0.568 . . . . 25.0 112.194 171.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -67.41 -15.55 63.74 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.057 -1.027 . . . . 25.0 113.193 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.0 -22.11 5.29 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -17.99 24.32 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.551 0.574 . . . . 25.0 112.551 175.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -73.27 -20.67 60.78 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.093 0.405 . . . . 25.0 112.093 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -118.25 -11.84 10.03 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 -173.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -159.17 148.17 18.38 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -86.0 78.4 9.46 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 C--O 1.247 0.957 0 CA-C-O 116.808 -1.568 . . . . 25.0 109.54 -179.507 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 CA-C-O 119.304 -0.72 . . . . 25.0 111.484 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 64.7 p -71.51 174.49 6.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 173.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -61.56 -39.12 89.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.118 0.485 . . . . 25.0 110.594 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.47 HD12 HG11 ' A' ' 14' ' ' VAL . 1.8 tt -67.13 -42.39 84.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.674 0.75 . . . . 25.0 109.942 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -66.05 -35.55 80.85 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 121.715 -0.616 . . . . 25.0 110.993 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -74.65 -26.98 60.23 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.259 -0.576 . . . . 25.0 110.907 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.03 94.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 175.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.8 mmm -71.06 -33.93 70.72 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.705 0.631 . . . . 25.0 112.705 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.12 -29.24 68.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.878 0.763 . . . . 25.0 109.038 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -64.08 -44.26 92.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.777 0.322 . . . . 25.0 110.489 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.4 -36.54 78.34 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.56 -46.1 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.287 -0.634 . . . . 25.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.52 -45.05 89.65 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.159 0.504 . . . . 25.0 110.905 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.422 HG11 HD12 ' A' ' 4' ' ' LEU . 79.6 t -65.64 -44.49 93.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 115.084 -0.962 . . . . 25.0 110.666 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -59.7 -46.8 87.97 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.765 -0.585 . . . . 25.0 109.779 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -66.57 -21.55 66.15 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.96 89.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.669 0.271 . . . . 25.0 110.62 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -102.38 -14.62 16.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.894 0.701 . . . . 25.0 112.894 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.6 p -63.46 167.68 5.27 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 -173.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.69 25.87 61.95 Favored Glycine 0 CA--C 1.505 -0.536 0 N-CA-C 115.04 0.776 . . . . 25.0 115.04 175.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.53 -31.67 70.04 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 107.337 -1.357 . . . . 25.0 107.337 174.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -89.36 -2.45 58.43 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 114.187 -1.37 . . . . 25.0 111.713 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.24 -30.86 9.06 Favored Glycine 0 N--CA 1.459 0.171 0 CA-C-N 115.992 -0.549 . . . . 25.0 114.339 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -83.48 119.15 24.32 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 107.519 -1.289 . . . . 25.0 107.519 176.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -83.0 -8.75 59.53 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.049 1.129 . . . . 25.0 114.049 -171.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -95.75 6.05 49.86 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.343 -1.355 . . . . 25.0 107.343 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -128.65 159.76 34.56 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.851 -0.613 . . . . 25.0 111.553 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.65 135.78 20.13 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 106.773 -1.566 . . . . 25.0 106.773 174.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -65.17 146.14 55.36 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.816 -0.553 . . . . 25.0 109.783 -179.685 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -58.52 -43.37 89.13 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.203 0.816 . . . . 25.0 113.203 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.76 -29.79 70.35 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.841 0.746 . . . . 25.0 111.116 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -78.55 -25.85 45.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.711 -0.677 . . . . 25.0 109.818 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.467 HD22 HG21 ' B' ' 69' ' ' VAL . 17.1 tp -65.59 -30.83 71.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.987 -0.446 . . . . 25.0 110.504 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -61.08 -31.3 70.97 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 120.837 -0.345 . . . . 25.0 110.846 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -63.58 -48.54 76.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.2 -46.01 92.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.89 -0.782 . . . . 25.0 108.89 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.2 -30.72 71.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.262 0.554 . . . . 25.0 111.822 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -81.92 -22.33 36.82 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 122.94 0.496 . . . . 25.0 111.47 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 43.2 m -97.64 -56.71 2.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.847 -0.615 . . . . 25.0 112.523 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -90.15 -18.17 26.29 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -174.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.421 HD13 HD22 ' A' ' 4' ' ' LEU . 11.2 tp -113.81 11.69 18.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.453 0.644 . . . . 25.0 109.446 176.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.09 -38.82 18.53 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.078 1.51 . . . . 25.0 115.078 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.51 -28.89 72.93 Favored Glycine 0 C--O 1.224 -0.494 0 C-N-CA 120.79 -0.719 . . . . 25.0 112.553 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -79.5 -28.33 41.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.696 -0.884 . . . . 25.0 108.764 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.4 mt -69.39 -39.33 78.06 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.289 -0.634 . . . . 25.0 109.289 175.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -67.37 -33.96 76.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.612 0.72 . . . . 25.0 111.406 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.73 24.74 7.96 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.062 -0.517 . . . . 25.0 111.173 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -62.2 152.38 33.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.928 0.394 . . . . 25.0 110.156 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -128.41 -48.3 1.3 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -82.22 87.44 6.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 175.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.53 -24.7 36.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 CA-C-N 115.687 -0.688 . . . . 25.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.21 -41.89 60.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.095 0.474 . . . . 25.0 111.23 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.55 -37.17 37.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.452 -0.34 . . . . 25.0 111.679 -176.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 p -64.88 -37.65 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -79.31 -29.44 42.38 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.212 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -60.88 -40.77 94.23 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 120.752 -0.379 . . . . 25.0 111.528 176.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -67.0 -41.12 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.4 mmt -69.29 -46.79 66.33 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 115.561 -0.745 . . . . 25.0 112.188 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.98 -36.44 82.18 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 121.363 -0.135 . . . . 25.0 110.668 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -61.28 -44.46 97.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.03 -21.92 50.01 Favored 'General case' 0 C--O 1.205 -1.284 0 C-N-CA 119.327 -0.949 . . . . 25.0 110.148 -177.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -63.53 -26.28 68.63 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.884 -0.51 . . . . 25.0 111.268 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -101.03 -25.53 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.47 0.653 . . . . 25.0 110.794 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -97.19 9.06 43.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.771 -0.65 . . . . 25.0 111.281 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.89 -24.49 62.7 Favored Glycine 0 C--O 1.217 -0.923 0 N-CA-C 116.63 1.412 . . . . 25.0 116.63 -167.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.67 3.14 48.98 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.676 0.75 . . . . 25.0 110.448 -171.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.52 -156.4 31.83 Favored Glycine 0 N--CA 1.421 -2.35 0 N-CA-C 105.72 -2.952 . . . . 25.0 105.72 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -150.97 165.19 34.47 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.055 0.455 . . . . 25.0 110.375 -173.6 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.467 HG21 HD22 ' B' ' 33' ' ' LEU . 3.4 m -136.79 167.48 23.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.334 -0.848 . . . . 25.0 108.972 178.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -119.82 -174.15 2.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 105.979 -1.86 . . . . 25.0 105.979 174.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.09 -47.55 68.48 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.482 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.5 tt0 -55.21 -47.12 75.77 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.294 0.497 . . . . 25.0 110.77 -177.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.81 -44.47 73.45 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-O 122.076 0.941 . . . . 25.0 109.05 -174.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -40.78 81.43 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.939 -1.028 . . . . 25.0 110.421 -178.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.1 t -71.41 -36.33 60.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 122.238 -0.289 . . . . 25.0 110.95 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.421 HG22 HG22 ' A' ' 76' ' ' VAL . 55.0 t -59.96 -44.65 95.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.593 -0.521 . . . . 25.0 109.593 177.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.4 mt -69.4 -37.4 77.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.128 0.49 . . . . 25.0 110.831 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.1 t -62.53 -44.09 99.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.37 82.96 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.06 -0.4 . . . . 25.0 111.287 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.73 97.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.298 0.571 . . . . 25.0 110.1 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.25 -35.85 78.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.426 0.632 . . . . 25.0 109.64 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 76.3 m -61.81 -44.94 95.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.081 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.481 HG11 ' HB2' ' A' ' 72' ' ' GLN . 28.6 m -71.15 -26.98 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 120.878 -1.139 . . . . 25.0 111.693 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.7 -23.23 66.09 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.569 0.7 . . . . 25.0 110.831 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -101.27 -15.34 17.32 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.963 -1.086 . . . . 25.0 111.985 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -51.06 -20.91 1.58 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -46.22 -25.29 0.59 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.231 1.197 . . . . 25.0 114.231 171.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -68.33 -27.53 66.36 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -107.62 -19.13 13.65 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 113.196 0.813 . . . . 25.0 113.196 -175.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -135.52 111.4 9.44 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.417 -1.265 . . . . 25.0 108.156 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -87.73 77.9 8.54 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.487 0.661 . . . . 25.0 111.416 -172.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 C--O 1.245 0.851 0 CA-C-N 115.029 -0.987 . . . . 25.0 112.255 179.769 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.964 0 N-CA-C 111.75 -0.54 . . . . 25.0 111.75 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -72.37 179.41 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.042 0.421 . . . . 25.0 110.613 176.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.28 -41.5 97.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.975 0.417 . . . . 25.0 110.617 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.447 HD22 HD13 ' B' ' 41' ' ' LEU . 2.8 tt -65.3 -41.85 93.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.27 0.557 . . . . 25.0 110.189 177.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.26 -40.7 98.14 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.623 -0.673 . . . . 25.0 110.82 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.9 p -71.7 -27.81 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.449 -0.5 . . . . 25.0 110.64 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.48 95.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -72.78 -32.03 65.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.585 0.957 . . . . 25.0 113.585 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.77 -26.6 65.3 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.1 m -64.74 -43.3 93.8 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.573 -0.285 . . . . 25.0 110.634 172.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.4 -36.31 77.83 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.51 -45.4 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.73 -49.41 77.73 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.068 0.461 . . . . 25.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.424 HG11 HD12 ' B' ' 4' ' ' LEU . 69.7 t -62.2 -44.24 98.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.664 -0.698 . . . . 25.0 111.794 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.51 -48.39 79.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.764 -0.585 . . . . 25.0 110.263 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -62.6 -29.49 70.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.922 -0.581 . . . . 25.0 111.835 -177.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.88 93.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.112 0.412 . . . . 25.0 112.112 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -93.73 -19.38 21.13 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -61.75 155.49 22.78 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.58 14.46 43.88 Favored Glycine 0 C--O 1.227 -0.333 0 N-CA-C 114.855 0.702 . . . . 25.0 114.855 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -67.78 -33.86 75.66 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.45 -0.945 . . . . 25.0 108.45 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -86.25 -6.1 59.04 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.444 -1.253 . . . . 25.0 112.908 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.41 -29.99 10.94 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-O 119.304 -0.72 . . . . 25.0 114.163 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -82.31 117.36 22.33 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.05 -1.463 . . . . 25.0 107.05 175.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -70.51 -17.63 62.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.087 -0.961 . . . . 25.0 113.269 -169.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -102.37 7.19 40.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.844 0.354 . . . . 25.0 110.602 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -126.78 156.85 40.58 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -141.28 130.41 23.39 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.548 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.2 m -68.21 145.96 53.82 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 122.099 -0.376 . . . . 25.0 110.087 -177.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -57.49 -46.82 83.3 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.173 1.175 . . . . 25.0 114.173 -174.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -31.35 68.88 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.467 0.576 . . . . 25.0 112.211 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -80.31 -24.67 39.78 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 121.202 0.525 . . . . 25.0 110.406 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD22 HG21 ' A' ' 69' ' ' VAL . 19.0 tp -66.52 -30.64 71.0 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.779 -0.576 . . . . 25.0 109.887 176.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -60.8 -31.67 71.05 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.276 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.09 -48.98 76.28 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.195 -0.669 . . . . 25.0 109.195 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.9 -46.61 88.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.729 0.776 . . . . 25.0 109.185 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.3 -31.27 72.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.431 -0.804 . . . . 25.0 111.77 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -81.84 -22.33 37.06 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.104 0.562 . . . . 25.0 111.678 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.6 m -94.79 -55.85 2.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.887 -0.597 . . . . 25.0 112.426 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -87.61 -44.62 11.09 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.363 0.601 . . . . 25.0 111.592 -176.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 tp -86.46 9.32 18.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.5 0.667 . . . . 25.0 110.321 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -38.75 23.49 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 115.308 1.596 . . . . 25.0 115.308 176.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.02 -40.16 84.16 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.345 -0.931 . . . . 25.0 111.043 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -68.16 -29.04 67.83 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 122.025 -0.691 . . . . 25.0 109.384 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.13 -42.58 69.02 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 109.484 -0.562 . . . . 25.0 109.484 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.01 -32.32 70.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.614 0.721 . . . . 25.0 111.402 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.51 20.25 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.174 -0.466 . . . . 25.0 109.796 -176.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.25 152.35 25.08 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -138.17 -47.26 0.53 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' HB2' ' HA ' ' A' ' 84' ' ' ALA . 15.9 m-20 -82.39 79.56 8.81 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.376 -1.342 . . . . 25.0 107.376 175.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.413 ' HA ' HG12 ' A' ' 54' ' ' VAL . 35.0 m -63.19 -24.46 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.243 -0.889 . . . . 25.0 111.512 -174.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.81 -37.97 87.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.292 0.567 . . . . 25.0 110.275 177.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.88 -40.44 22.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.82 -0.627 . . . . 25.0 112.589 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 p -65.29 -37.97 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.584 0.707 . . . . 25.0 109.541 -175.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -77.71 -28.79 50.99 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.387 -0.824 . . . . 25.0 110.728 -175.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -60.96 -37.42 82.32 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 122.006 -0.434 . . . . 25.0 111.708 177.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.3 -42.24 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 122.188 0.994 . . . . 25.0 108.798 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.1 mmt -70.33 -48.41 56.62 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.148 -0.933 . . . . 25.0 111.859 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -35.66 81.7 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.473 -0.195 . . . . 25.0 110.473 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -60.33 -48.53 81.34 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.87 -19.68 51.35 Favored 'General case' 0 C--O 1.207 -1.136 0 C-N-CA 119.073 -1.051 . . . . 25.0 110.561 -174.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.61 -28.23 69.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.168 0.508 . . . . 25.0 110.935 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -104.1 -23.45 13.29 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.366 0.603 . . . . 25.0 110.973 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -95.8 18.58 12.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.917 0.865 . . . . 25.0 109.444 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.73 24.97 3.05 Favored Glycine 0 C--O 1.212 -1.244 0 CA-C-N 115.362 -0.836 . . . . 25.0 112.961 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -115.78 -4.17 12.16 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 122.68 -0.306 . . . . 25.0 111.608 168.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.09 -158.1 32.75 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 109.247 -1.541 . . . . 25.0 109.247 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 14.1 pt-20 -151.69 159.51 43.97 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 113.459 -1.371 . . . . 25.0 110.087 -174.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.42 HG21 HD22 ' A' ' 33' ' ' LEU . 6.4 m -133.95 173.2 15.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.529 -0.76 . . . . 25.0 110.381 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -124.26 -174.36 2.99 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 105.731 -1.952 . . . . 25.0 105.731 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -52.8 -48.12 67.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.697 0.999 . . . . 25.0 113.697 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.2 tt0 -55.25 -45.64 76.06 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.173 0.442 . . . . 25.0 111.426 -177.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -40.67 69.26 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 122.079 0.942 . . . . 25.0 110.005 -175.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -38.84 83.68 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.304 -0.862 . . . . 25.0 109.85 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.443 HG11 ' HB2' ' B' ' 79' ' ' ALA . 78.1 t -71.79 -36.23 57.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 121.215 -0.194 . . . . 25.0 110.725 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 72' ' ' GLN . 78.4 t -58.16 -46.56 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 177.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.12 -36.16 74.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.892 -0.594 . . . . 25.0 111.05 -177.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.2 t -63.48 -45.23 98.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.59 90.9 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.092 -0.38 . . . . 25.0 110.124 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.42 97.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.289 0.566 . . . . 25.0 111.033 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 tt -70.92 -35.72 72.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.226 0.536 . . . . 25.0 109.811 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.3 m -61.56 -48.91 78.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.99 -0.444 . . . . 25.0 111.127 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.539 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.5 m -62.11 -23.78 32.73 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 N-CA-C 113.581 0.956 . . . . 25.0 113.581 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HA ' ' HB2' ' A' ' 50' ' ' ASP . . . -58.01 -4.43 0.33 Allowed 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 113.805 1.039 . . . . 25.0 113.805 172.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -66.29 -15.81 63.52 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.535 1.309 . . . . 25.0 114.535 -172.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -53.23 -20.94 4.59 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.609 0.966 . . . . 25.0 113.609 177.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -50.83 -20.74 1.38 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.322 1.23 . . . . 25.0 114.322 178.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -54.35 -37.21 64.67 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.265 0.555 . . . . 25.0 110.326 173.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -110.61 -0.87 17.07 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.982 -0.553 . . . . 25.0 112.123 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -127.9 103.39 7.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.441 1.115 . . . . 25.0 110.652 -176.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -94.53 101.37 13.26 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.776 -1.102 . . . . 25.0 108.757 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.246 0.878 0 N-CA-C 106.681 -1.6 . . . . 25.0 106.681 178.768 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.575 0 CA-C-O 119.233 -0.759 . . . . 25.0 111.865 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.52 175.89 1.65 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 117.63 0.715 . . . . 25.0 109.242 172.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.05 -43.29 95.49 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.392 0.615 . . . . 25.0 111.56 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.424 HD12 HG11 ' A' ' 14' ' ' VAL . 3.2 tt -65.54 -40.66 93.13 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 122.008 0.908 . . . . 25.0 109.14 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -67.88 -35.54 78.69 Favored 'General case' 0 C--N 1.313 -0.988 0 O-C-N 121.509 -0.744 . . . . 25.0 111.36 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 p -71.73 -27.98 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.503 -0.479 . . . . 25.0 109.881 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.1 82.22 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 174.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.6 mmm -70.93 -33.47 70.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -69.47 -27.3 65.11 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.8 m -65.49 -44.05 88.28 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 110.05 -0.352 . . . . 25.0 110.05 171.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.38 -36.36 77.89 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.392 -0.595 . . . . 25.0 109.392 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.89 -47.94 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.28 -48.5 80.26 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.379 0.609 . . . . 25.0 110.721 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.414 HG11 HD12 ' A' ' 4' ' ' LEU . 72.5 t -63.29 -43.59 98.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.431 -0.804 . . . . 25.0 111.744 -178.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -61.66 -46.77 88.33 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.593 -0.692 . . . . 25.0 109.527 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -61.95 -25.36 67.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.461 -0.791 . . . . 25.0 112.775 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.14 99.36 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.373 0.509 . . . . 25.0 112.373 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -95.51 -21.53 18.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.791 0.329 . . . . 25.0 111.269 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.6 t -59.76 150.07 29.09 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.211 0.605 . . . . 25.0 112.139 -176.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.2 18.53 28.64 Favored Glycine 0 C--O 1.228 -0.281 0 N-CA-C 115.907 1.123 . . . . 25.0 115.907 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -67.73 -36.35 80.43 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.114 0.957 . . . . 25.0 109.687 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -88.11 -11.24 47.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.057 -0.974 . . . . 25.0 113.245 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.01 -30.0 6.28 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 115.884 1.114 . . . . 25.0 115.884 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -83.17 120.15 25.43 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 106.013 -1.847 . . . . 25.0 106.013 174.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -68.32 -19.21 64.65 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.441 0.904 . . . . 25.0 113.441 -167.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -109.09 15.16 23.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.63 0.233 . . . . 25.0 111.63 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -125.16 151.87 45.22 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -142.32 135.73 28.99 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.95 150.94 47.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -59.96 -42.97 95.27 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 113.257 0.836 . . . . 25.0 113.257 -176.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -29.39 69.95 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.29 0.95 . . . . 25.0 110.405 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.03 -24.02 47.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.479 -0.782 . . . . 25.0 109.479 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.46 HD22 HG21 ' B' ' 69' ' ' VAL . 22.7 tp -70.02 -36.7 75.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.898 -0.501 . . . . 25.0 109.794 175.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.556 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.9 ttpt -58.78 -33.34 70.21 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 116.485 -0.325 . . . . 25.0 110.42 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.56 -47.87 83.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.58 -45.41 94.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.353 0.597 . . . . 25.0 109.423 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mp -64.19 -30.08 71.16 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 121.455 0.645 . . . . 25.0 111.295 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -81.54 -22.69 37.72 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.993 -0.442 . . . . 25.0 111.032 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 41.3 m -93.72 -61.63 1.51 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.638 -0.71 . . . . 25.0 111.622 -177.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -83.19 -44.65 14.8 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.412 0.625 . . . . 25.0 111.796 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.447 HD13 HD22 ' A' ' 4' ' ' LEU . 12.4 tp -83.79 9.94 10.72 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.057 0.456 . . . . 25.0 110.041 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -50.03 -39.59 42.23 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 175.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.5 -31.56 74.0 Favored Glycine 0 C--O 1.225 -0.429 0 C-N-CA 119.991 -1.1 . . . . 25.0 111.84 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -78.26 -22.37 48.46 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.865 -0.785 . . . . 25.0 110.087 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.34 -39.16 48.58 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.99 -32.62 73.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.816 0.817 . . . . 25.0 111.795 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.56 12.72 17.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 25.0 111.099 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.72 151.4 14.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.198 0.523 . . . . 25.0 112.343 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -133.48 -44.34 0.83 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -81.13 88.56 5.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.486 0.66 . . . . 25.0 109.824 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.1 m -67.24 -22.8 29.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.585 -0.734 . . . . 25.0 111.607 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -77.98 -44.28 27.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.132 0.491 . . . . 25.0 110.107 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.44 -39.29 62.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.506 -0.316 . . . . 25.0 111.803 -177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.68 -38.62 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 -177.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -80.13 -30.33 39.01 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 116.07 -0.514 . . . . 25.0 110.904 -175.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -58.37 -42.04 86.12 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.484 -0.325 . . . . 25.0 111.724 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.57 -40.18 81.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.975 0.893 . . . . 25.0 108.659 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.8 mmt -69.36 -49.56 54.44 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 115.537 -0.756 . . . . 25.0 112.148 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -36.43 83.79 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.976 -0.29 . . . . 25.0 110.441 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.01 -45.4 94.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 177.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -78.26 -22.37 48.42 Favored 'General case' 0 C--O 1.206 -1.187 0 C-N-CA 119.006 -1.078 . . . . 25.0 110.806 -176.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.24 -27.14 68.23 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.087 -0.383 . . . . 25.0 111.659 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -104.7 -22.62 13.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.475 0.655 . . . . 25.0 111.071 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -96.36 14.43 24.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.53 0.681 . . . . 25.0 109.358 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.65 -22.19 63.71 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 115.391 0.917 . . . . 25.0 115.391 -170.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.33 4.43 50.81 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.723 0.773 . . . . 25.0 110.45 -174.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.87 -156.3 31.27 Favored Glycine 0 N--CA 1.419 -2.485 0 N-CA-C 103.825 -3.71 . . . . 25.0 103.825 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -153.36 169.34 23.34 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.861 -0.788 . . . . 25.0 110.401 -173.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.46 HG21 HD22 ' B' ' 33' ' ' LEU . 3.3 m -139.37 170.64 15.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.012 -0.995 . . . . 25.0 109.806 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.05 -174.29 3.22 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 104.955 -2.239 . . . . 25.0 104.955 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -53.11 -48.11 68.08 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 113.094 0.775 . . . . 25.0 113.094 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.539 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.5 tt0 -54.93 -45.03 74.78 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.289 0.495 . . . . 25.0 111.135 -177.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.73 -49.12 61.41 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.425 1.107 . . . . 25.0 108.756 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.407 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -57.36 -39.98 77.1 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.466 -1.243 . . . . 25.0 111.21 -175.363 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.2 t -70.66 -37.18 68.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.647 0.261 . . . . 25.0 110.855 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.456 HG22 HG22 ' A' ' 76' ' ' VAL . 53.6 t -61.83 -43.72 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.166 0.508 . . . . 25.0 109.783 177.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.8 mt -69.13 -37.0 78.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.337 0.589 . . . . 25.0 110.494 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 10.9 t -62.76 -43.09 98.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.443 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -67.11 -36.78 82.65 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.001 -0.437 . . . . 25.0 111.362 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.64 97.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.621 0.724 . . . . 25.0 109.776 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.66 -33.24 70.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.42 0.629 . . . . 25.0 110.155 177.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -63.92 -44.82 91.78 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.112 -0.367 . . . . 25.0 111.273 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.505 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.9 m -69.62 -23.64 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.673 -0.642 . . . . 25.0 111.881 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.86 0.62 1.7 Allowed 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 121.477 0.656 . . . . 25.0 112.078 171.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -86.95 -13.99 43.08 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.559 1.944 . . . . 25.0 110.177 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -48.71 -20.92 0.52 Allowed 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 114.261 -1.336 . . . . 25.0 114.547 -174.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -56.68 -22.89 38.1 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -67.42 -33.3 74.89 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.05 -0.407 . . . . 25.0 111.076 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -102.48 -14.71 16.72 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 121.902 0.858 . . . . 25.0 113.262 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -133.4 103.34 5.91 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.378 -1.283 . . . . 25.0 108.447 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -87.35 88.91 7.81 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.625 -0.716 . . . . 25.0 110.503 -174.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.248 1.013 0 CA-C-O 117.014 -1.47 . . . . 25.0 107.58 179.27 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.491 0 CA-C-O 119.471 -0.627 . . . . 25.0 111.913 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.32 -179.44 0.8 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 117.399 0.599 . . . . 25.0 110.808 174.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -61.75 -46.49 89.4 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.393 0.616 . . . . 25.0 110.704 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.47 -39.92 94.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.875 0.845 . . . . 25.0 109.761 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -69.84 -36.07 75.27 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.846 -0.534 . . . . 25.0 112.258 -176.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 p -73.73 -29.66 62.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.15 87.29 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.1 mmm -70.57 -32.71 70.21 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.689 0.996 . . . . 25.0 113.689 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.45 -25.54 63.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.115 -0.698 . . . . 25.0 109.115 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -64.72 -42.4 95.26 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.118 -0.364 . . . . 25.0 110.159 170.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.25 -35.06 77.8 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.8 mt -67.17 -47.18 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.82 -51.16 70.72 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.26 0.552 . . . . 25.0 111.258 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.92 -34.42 64.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 CA-C-N 115.73 -0.668 . . . . 25.0 111.957 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.95 -43.08 99.76 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 120.989 -1.069 . . . . 25.0 109.665 171.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -66.93 -16.68 64.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.772 0.656 . . . . 25.0 112.772 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.87 79.06 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 121.191 -0.204 . . . . 25.0 111.189 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -102.82 -20.38 14.34 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.6 p -62.03 147.28 47.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.17 0.509 . . . . 25.0 109.751 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.55 -7.37 57.89 Favored Glycine 0 CA--C 1.508 -0.369 0 C-N-CA 120.518 -0.849 . . . . 25.0 111.852 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.55 -31.93 68.42 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.691 -0.485 . . . . 25.0 109.691 175.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -110.8 41.79 1.73 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 123.209 1.48 . . . . 25.0 114.864 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.44 -30.21 3.11 Favored Glycine 0 C--N 1.306 -1.121 0 N-CA-C 118.418 2.127 . . . . 25.0 118.418 171.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -103.52 123.17 46.42 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 176.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -70.98 -17.98 62.63 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -170.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -106.21 8.04 31.8 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 122.176 -0.327 . . . . 25.0 110.672 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.38 163.57 25.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.175 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.95 137.82 23.85 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.1 152.76 42.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.26 -0.275 . . . . 25.0 111.117 177.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -66.1 -43.4 87.38 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -30.47 71.04 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.063 0.847 . . . . 25.0 109.654 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -77.24 -23.49 51.29 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.123 -0.944 . . . . 25.0 110.276 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.496 HD11 ' HD1' ' A' ' 74' ' ' TYR . 27.0 tp -75.24 -31.27 60.77 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 121.67 -0.644 . . . . 25.0 110.536 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.694 ' HB2' HD11 ' A' ' 61' ' ' LEU . 33.7 ttpt -58.17 -35.5 71.65 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 120.059 -0.656 . . . . 25.0 109.894 176.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.9 -49.24 78.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.02 -44.75 96.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.464 0.649 . . . . 25.0 109.71 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.83 -30.58 71.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.845 -0.616 . . . . 25.0 111.974 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -81.59 -22.2 37.89 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 122.874 0.47 . . . . 25.0 111.118 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.5 m -95.22 -51.7 4.5 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 -175.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -91.68 -45.2 8.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.194 0.521 . . . . 25.0 112.138 -176.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.1 tp -85.49 8.7 18.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.824 0.821 . . . . 25.0 109.286 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.34 -39.14 21.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.657 1.725 . . . . 25.0 115.657 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.5 -38.6 79.51 Favored Glycine 0 N--CA 1.458 0.16 0 C-N-CA 120.371 -0.918 . . . . 25.0 110.97 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -69.38 -32.21 71.1 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -69.12 -44.12 73.04 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.724 0.64 . . . . 25.0 109.952 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.17 -32.85 74.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.733 0.777 . . . . 25.0 111.544 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.35 29.76 3.46 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 115.838 -0.619 . . . . 25.0 109.588 -176.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -62.88 155.81 26.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.32 -0.622 . . . . 25.0 109.32 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -132.28 -49.24 0.92 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.636 0.732 . . . . 25.0 109.265 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' HB2' ' HA ' ' A' ' 84' ' ' ALA . 22.6 m-20 -85.91 87.68 7.45 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.04 -0.982 . . . . 25.0 108.919 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -62.07 -27.92 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.627 -175.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.26 -37.56 83.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.521 0.677 . . . . 25.0 109.494 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.17 -27.98 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.837 0.68 . . . . 25.0 112.837 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.78 -39.61 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -80.26 -21.45 42.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.034 0.445 . . . . 25.0 111.564 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -53.52 -31.28 45.48 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.499 -0.773 . . . . 25.0 109.746 170.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.79 -48.31 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.278 0.561 . . . . 25.0 111.469 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.0 mmt -66.92 -53.65 29.89 Favored 'General case' 0 CA--C 1.487 -1.451 0 N-CA-C 112.824 0.676 . . . . 25.0 112.824 -172.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -34.78 78.54 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.477 -0.489 . . . . 25.0 109.94 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.31 -50.87 72.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -80.41 -19.66 45.7 Favored 'General case' 0 C--O 1.211 -0.94 0 C-N-CA 119.437 -0.905 . . . . 25.0 111.544 -173.185 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.38 -29.19 67.53 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.941 0.401 . . . . 25.0 111.471 -178.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -108.11 -22.28 12.45 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.257 0.551 . . . . 25.0 111.814 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -96.51 15.43 21.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.775 0.797 . . . . 25.0 109.87 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.6 -19.36 62.55 Favored Glycine 0 C--O 1.22 -0.762 0 N-CA-C 115.872 1.109 . . . . 25.0 115.872 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -92.05 5.4 50.36 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.722 0.773 . . . . 25.0 110.482 -171.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.32 -160.26 36.25 Favored Glycine 0 N--CA 1.417 -2.628 0 N-CA-C 103.627 -3.789 . . . . 25.0 103.627 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.41 163.26 40.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.09 -0.555 . . . . 25.0 109.854 -172.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -142.11 169.94 12.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.201 -0.908 . . . . 25.0 109.446 -175.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.61 -174.23 2.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.382 -1.71 . . . . 25.0 106.382 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -52.56 -47.54 66.73 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.533 ' HB2' HG11 ' B' ' 83' ' ' VAL . 59.5 tt0 -54.69 -47.02 74.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.497 0.59 . . . . 25.0 111.004 -178.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -79.62 -31.73 41.66 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-O 121.558 0.694 . . . . 25.0 109.9 -171.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.496 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -59.64 -41.47 90.6 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.493 -0.929 . . . . 25.0 108.493 175.291 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.1 t -71.34 -36.83 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.815 -0.175 . . . . 25.0 110.659 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.1 t -57.43 -44.99 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.0 mt -70.29 -37.74 74.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.707 0.289 . . . . 25.0 111.2 -178.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.86 -45.71 98.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.922 -0.399 . . . . 25.0 109.922 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.82 -36.77 80.96 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.002 -0.437 . . . . 25.0 110.612 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.71 92.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.253 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -71.27 -37.79 71.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.325 -0.621 . . . . 25.0 109.325 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.0 m -59.83 -41.7 91.93 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 112.293 0.479 . . . . 25.0 112.293 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' B' ' 72' ' ' GLN 0.303 27.5 m -67.58 -17.02 21.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 N-CA-C 114.462 1.282 . . . . 25.0 114.462 175.748 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 50' ' ' ASP . . . -64.45 -5.45 5.37 Favored 'General case' 0 CA--C 1.56 1.357 0 O-C-N 120.333 -1.479 . . . . 25.0 109.369 172.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -65.8 -33.05 74.96 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.8 -1.188 . . . . 25.0 111.257 -175.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -27.94 64.58 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.117 0.484 . . . . 25.0 111.794 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -62.88 -15.74 56.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -91.3 -7.0 52.28 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.685 -0.634 . . . . 25.0 111.053 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -109.45 -19.27 13.31 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-O 122.142 0.972 . . . . 25.0 111.015 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -152.45 130.19 11.61 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.311 -1.768 . . . . 25.0 108.105 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -94.77 78.45 3.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.316 0.579 . . . . 25.0 111.2 -176.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.1 m . . . . . 0 C--O 1.243 0.745 0 CA-C-O 117.148 -1.406 . . . . 25.0 108.547 178.379 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 119.408 -0.662 . . . . 25.0 111.698 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.84 175.53 2.41 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 117.378 0.589 . . . . 25.0 109.562 173.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.3 -44.58 95.29 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.799 0.727 . . . . 25.0 111.6 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.02 -39.54 93.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.81 0.815 . . . . 25.0 109.507 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -68.79 -37.94 79.64 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.806 -0.559 . . . . 25.0 111.727 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.3 p -71.3 -28.54 64.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.57 81.82 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.5 mmm -70.45 -31.85 69.18 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.21 -24.87 62.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.7 m -66.54 -42.24 87.48 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.1 -35.53 78.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.8 -47.51 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 177.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -58.45 -51.67 68.87 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.121 0.486 . . . . 25.0 111.403 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.56 -33.08 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.821 -0.627 . . . . 25.0 112.094 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -62.96 -45.0 94.51 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.186 -0.946 . . . . 25.0 109.097 171.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -66.42 -18.79 65.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.993 0.738 . . . . 25.0 112.993 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.67 80.01 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 122.319 -0.238 . . . . 25.0 110.895 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -101.72 -19.01 15.56 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.6 p -65.83 152.96 43.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 25.0 109.869 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.48 -7.36 42.81 Favored Glycine 0 C--O 1.223 -0.553 0 C-N-CA 120.878 -0.677 . . . . 25.0 112.935 -175.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -60.37 -34.57 74.08 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -71.23 -29.85 65.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.375 -1.284 . . . . 25.0 113.172 -176.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.02 -30.74 6.17 Favored Glycine 0 C--N 1.322 -0.204 0 N-CA-C 109.414 -1.475 . . . . 25.0 109.414 -174.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -90.74 127.27 36.26 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 104.692 -2.336 . . . . 25.0 104.692 171.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -72.7 -21.82 61.0 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 -170.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -104.5 14.13 30.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.074 0.464 . . . . 25.0 110.413 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -122.88 155.03 37.5 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.564 -0.744 . . . . 25.0 110.044 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.69 130.08 27.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 106.725 -1.583 . . . . 25.0 106.725 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -66.19 150.05 49.37 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 -178.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -64.31 -41.63 96.73 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 113.644 0.979 . . . . 25.0 113.644 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -29.11 70.19 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.758 -1.214 . . . . 25.0 109.729 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -81.33 -23.68 37.63 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.683 0.754 . . . . 25.0 109.83 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.418 HD11 ' HD1' ' B' ' 74' ' ' TYR . 10.4 tp -68.13 -36.48 79.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 173.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.678 ' HB2' HD11 ' B' ' 61' ' ' LEU . 31.7 ttpt -60.33 -35.2 75.09 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 120.412 -0.515 . . . . 25.0 110.208 178.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.53 -48.84 79.21 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.41 -46.2 89.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.616 0.722 . . . . 25.0 109.717 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.95 -31.32 72.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.072 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -81.75 -22.67 37.13 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 123.57 0.748 . . . . 25.0 111.001 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 58.5 m -94.36 -51.61 4.71 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -93.14 -45.28 7.96 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.301 0.572 . . . . 25.0 112.21 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.7 tp -84.23 8.37 16.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.855 0.836 . . . . 25.0 109.525 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -35.43 16.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 115.486 1.661 . . . . 25.0 115.486 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.8 -40.4 75.48 Favored Glycine 0 C--O 1.229 -0.19 0 C-N-CA 120.195 -1.002 . . . . 25.0 111.096 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -70.36 -31.41 68.66 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.977 -0.749 . . . . 25.0 108.977 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 26.1 tp -68.25 -45.17 73.94 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 123.232 0.613 . . . . 25.0 111.098 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.14 -35.57 81.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.499 -0.773 . . . . 25.0 111.025 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.8 30.23 3.08 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 116.012 -0.54 . . . . 25.0 109.994 -176.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.23 156.07 26.48 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -136.86 -52.69 0.69 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.61 0.243 . . . . 25.0 111.038 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -79.83 86.42 5.38 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.834 -1.173 . . . . 25.0 107.834 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.15 -27.96 44.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.163 -0.471 . . . . 25.0 111.848 -174.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.79 -36.04 79.74 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.89 -31.53 31.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.586 0.588 . . . . 25.0 112.586 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.24 -41.59 66.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.335 -0.617 . . . . 25.0 109.335 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -80.01 -22.12 42.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.938 0.399 . . . . 25.0 111.469 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -53.18 -33.64 53.49 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.855 -0.611 . . . . 25.0 109.899 171.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 50.6 t -88.01 -47.52 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.485 0.66 . . . . 25.0 111.317 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.3 mmt -69.34 -51.35 37.84 Favored 'General case' 0 CA--C 1.488 -1.414 0 N-CA-C 113.056 0.762 . . . . 25.0 113.056 -172.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -35.27 79.05 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.58 -0.448 . . . . 25.0 109.921 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -59.36 -50.51 73.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.296 -0.631 . . . . 25.0 109.296 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -79.15 -20.59 48.14 Favored 'General case' 0 C--O 1.208 -1.12 0 C-N-CA 119.221 -0.992 . . . . 25.0 111.083 -173.357 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.36 -28.3 68.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.981 0.42 . . . . 25.0 111.456 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -106.99 -22.44 12.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.463 0.649 . . . . 25.0 111.513 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -96.22 17.13 16.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.793 0.806 . . . . 25.0 109.538 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.39 -19.92 64.93 Favored Glycine 0 C--O 1.215 -1.048 0 N-CA-C 115.309 0.884 . . . . 25.0 115.309 -170.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -91.08 6.31 45.43 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.569 0.7 . . . . 25.0 110.605 -170.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.63 -158.18 34.16 Favored Glycine 0 N--CA 1.418 -2.544 0 N-CA-C 104.439 -3.464 . . . . 25.0 104.439 173.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 2.9 pp20? -151.07 163.96 37.56 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.047 -0.723 . . . . 25.0 109.047 -174.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 m -140.78 164.52 21.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 123.78 0.675 . . . . 25.0 109.381 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -114.62 -174.13 2.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -52.48 -48.26 66.02 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 112.846 0.684 . . . . 25.0 112.846 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.475 ' HB2' HG11 ' A' ' 83' ' ' VAL . 59.4 tt0 -53.96 -48.35 70.41 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 118.442 0.565 . . . . 25.0 110.492 -177.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -74.22 -40.96 62.09 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.382 0.611 . . . . 25.0 109.44 -171.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.418 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -56.07 -41.35 74.98 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.803 -0.635 . . . . 25.0 109.958 178.531 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.91 -38.16 63.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 122.11 -0.369 . . . . 25.0 111.14 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.412 HG22 HG22 ' A' ' 76' ' ' VAL . 54.8 t -58.89 -43.52 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 177.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.59 -35.53 73.06 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.878 0.37 . . . . 25.0 111.111 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -64.05 -44.21 97.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.53 79.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.873 -0.517 . . . . 25.0 110.852 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.18 86.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.112 0.482 . . . . 25.0 110.625 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 tt -72.91 -35.47 67.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.323 0.583 . . . . 25.0 109.945 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.8 m -63.14 -43.79 97.36 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.297 -0.41 . . . . 25.0 111.274 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.533 HG11 ' HB2' ' A' ' 72' ' ' GLN . 24.6 m -66.24 -23.82 32.49 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 177.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.55 -5.4 1.2 Allowed 'General case' 0 CA--C 1.548 0.88 0 CA-C-O 121.73 0.776 . . . . 25.0 112.396 172.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -15.8 59.29 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.647 -1.283 . . . . 25.0 111.69 -178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -43.24 -34.07 1.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 115.178 1.547 . . . . 25.0 115.178 -175.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -56.53 -20.85 22.53 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 114.464 1.283 . . . . 25.0 114.464 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -67.62 -23.87 65.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 112.024 0.379 . . . . 25.0 112.024 175.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -124.05 -21.19 5.12 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 115.784 1.772 . . . . 25.0 115.784 -174.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -161.44 131.55 4.93 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.498 -1.228 . . . . 25.0 109.374 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.83 77.97 4.78 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.396 -0.815 . . . . 25.0 109.459 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.248 0.976 0 CA-C-O 117.935 -1.031 . . . . 25.0 111.277 177.749 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.561 0 CA-C-O 119.05 -0.861 . . . . 25.0 111.533 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -65.79 177.3 1.31 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.35 0.575 . . . . 25.0 110.636 174.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.45 -45.11 95.65 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.24 0.543 . . . . 25.0 110.699 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.434 HD22 HD13 ' B' ' 41' ' ' LEU . 2.3 tt -66.45 -41.34 89.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.548 0.689 . . . . 25.0 110.178 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -64.53 -36.51 84.44 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.605 -0.684 . . . . 25.0 111.384 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -75.41 -28.65 59.49 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.596 -0.441 . . . . 25.0 110.256 177.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.9 99.81 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 173.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.7 mmm -72.74 -33.69 66.54 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.7 -28.06 67.35 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.0 m -64.22 -43.0 96.31 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.421 -0.354 . . . . 25.0 111.207 173.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.76 -37.89 83.38 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.92 -46.26 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.3 -44.45 88.53 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 120.9 0.381 . . . . 25.0 112.007 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.538 HG11 HD12 ' B' ' 4' ' ' LEU . 87.0 t -67.17 -43.48 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.279 -0.418 . . . . 25.0 111.187 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -59.99 -43.57 95.07 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.656 -0.652 . . . . 25.0 110.062 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -69.03 -19.17 64.11 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 -176.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.31 -29.78 69.44 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 122.157 -0.339 . . . . 25.0 111.455 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -109.18 -11.3 14.92 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.862 0.689 . . . . 25.0 112.862 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.9 p -67.02 165.82 14.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.421 0.629 . . . . 25.0 111.995 -175.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.01 -8.94 36.56 Favored Glycine 0 C--O 1.222 -0.634 0 C-N-CA 121.105 -0.569 . . . . 25.0 112.216 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -64.25 -29.52 70.61 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 120.785 0.326 . . . . 25.0 111.665 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -76.31 -25.63 54.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.677 0.751 . . . . 25.0 110.276 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.57 -28.63 5.67 Favored Glycine 0 C--O 1.227 -0.314 0 N-CA-C 110.359 -1.096 . . . . 25.0 110.359 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -101.28 147.34 26.41 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.768 0.794 . . . . 25.0 112.628 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -62.37 -27.08 68.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 116.011 1.856 . . . . 25.0 116.011 -176.004 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -106.18 15.63 26.01 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.955 -0.465 . . . . 25.0 110.903 -175.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -130.25 146.3 51.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -174.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -140.88 133.53 28.73 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 109.314 -0.624 . . . . 25.0 109.314 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 3.3 m -69.5 147.39 50.92 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.982 -0.449 . . . . 25.0 111.457 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 -175.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -30.34 53.66 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.913 0.709 . . . . 25.0 112.913 176.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -79.85 -30.26 40.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.408 0.623 . . . . 25.0 110.436 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.446 HD22 HG21 ' A' ' 69' ' ' VAL . 15.3 tp -62.95 -29.43 70.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.165 -0.47 . . . . 25.0 111.002 176.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.518 ' HB2' HD11 ' A' ' 61' ' ' LEU . 35.6 ttpt -61.43 -34.84 76.08 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 120.644 -0.422 . . . . 25.0 110.603 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.29 -45.43 84.43 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.19 -47.1 87.39 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.72 -32.82 73.07 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 121.412 0.625 . . . . 25.0 111.578 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -81.94 -17.59 46.51 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 123.386 0.675 . . . . 25.0 112.048 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -105.26 -51.0 3.1 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.924 0.712 . . . . 25.0 112.924 -175.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -89.27 -17.68 28.52 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.495 0.664 . . . . 25.0 110.195 -174.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -119.7 12.31 12.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.0 -1.0 . . . . 25.0 110.715 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -31.74 7.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 172.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.32 -34.1 46.78 Favored Glycine 0 C--O 1.225 -0.439 0 C-N-CA 120.515 -0.85 . . . . 25.0 111.395 -177.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -76.32 -27.87 56.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -40.15 76.7 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 109.588 -0.523 . . . . 25.0 109.588 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -68.0 -31.16 70.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.898 0.856 . . . . 25.0 110.307 176.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.49 18.39 11.39 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.577 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.88 151.2 35.26 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -133.1 -44.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -84.55 85.97 7.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 m -63.54 -23.82 34.28 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 115.193 -0.912 . . . . 25.0 111.142 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.01 -39.39 63.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.978 0.418 . . . . 25.0 110.779 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.42 -38.37 49.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.206 0.447 . . . . 25.0 112.206 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -63.6 -37.02 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -76.4 -29.57 57.15 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 115.138 -0.937 . . . . 25.0 111.15 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -38.57 86.23 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.822 -0.351 . . . . 25.0 110.802 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.78 -43.64 79.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 122.041 0.924 . . . . 25.0 109.435 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -69.67 -47.7 62.37 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.464 -0.789 . . . . 25.0 112.237 -174.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -37.48 87.72 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.67 -48.61 80.48 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.69 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -78.01 -20.89 51.65 Favored 'General case' 0 C--O 1.209 -1.071 0 C-N-CA 119.043 -1.063 . . . . 25.0 110.356 -174.609 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.68 -26.8 66.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.208 0.527 . . . . 25.0 110.13 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -95.15 -29.23 14.65 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.828 0.823 . . . . 25.0 109.453 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -94.83 25.26 4.19 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.261 -0.882 . . . . 25.0 109.148 177.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.64 18.27 4.83 Favored Glycine 0 C--O 1.216 -0.971 0 CA-C-N 115.815 -0.63 . . . . 25.0 113.381 -176.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -116.76 -3.82 11.68 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.091 0.472 . . . . 25.0 110.104 168.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.98 -156.3 32.61 Favored Glycine 0 N--CA 1.436 -1.362 0 CA-C-O 122.759 1.199 . . . . 25.0 110.52 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -153.93 170.7 20.42 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 113.853 -1.174 . . . . 25.0 110.257 -170.04 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.446 HG21 HD22 ' A' ' 33' ' ' LEU . 2.7 m -144.3 168.92 10.01 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 O-C-N 124.473 1.108 . . . . 25.0 109.559 176.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -121.94 -174.08 2.8 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 104.927 -2.249 . . . . 25.0 104.927 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -54.03 -47.0 72.03 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.494 ' HB2' HG11 ' B' ' 83' ' ' VAL . 60.2 tt0 -55.77 -46.4 77.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.179 0.445 . . . . 25.0 111.155 -177.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -74.5 -37.19 63.19 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.679 0.752 . . . . 25.0 109.911 -173.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -41.24 87.14 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 178.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.92 -35.83 55.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 122.141 -0.35 . . . . 25.0 111.439 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.7 t -57.76 -46.07 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.2 mt -70.32 -36.53 74.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.2 -0.454 . . . . 25.0 110.863 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.6 t -62.85 -44.5 99.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.651 -0.5 . . . . 25.0 109.651 176.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.63 91.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.037 -0.414 . . . . 25.0 110.207 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.8 -43.18 97.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.263 0.554 . . . . 25.0 110.587 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 tt -67.4 -37.01 82.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.425 0.631 . . . . 25.0 109.424 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.7 m -63.34 -43.44 97.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.481 . . . . 25.0 111.797 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.492 HG11 ' HB2' ' B' ' 72' ' ' GLN . 25.4 m -71.03 -23.94 23.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 120.549 -1.344 . . . . 25.0 112.108 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.74 -17.4 64.84 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.51 0.672 . . . . 25.0 111.021 174.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.408 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 79.0 m-20 -102.96 -15.45 16.13 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.006 -1.059 . . . . 25.0 111.998 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -58.83 -20.78 53.57 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.795 0.807 . . . . 25.0 110.772 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -57.56 -16.1 9.15 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 114.256 1.206 . . . . 25.0 114.256 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -73.11 -11.23 60.47 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.567 -0.708 . . . . 25.0 111.805 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -95.77 11.88 31.98 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.663 0.385 . . . . 25.0 110.345 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -129.71 127.31 40.21 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 106.338 -1.727 . . . . 25.0 106.338 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.84 77.92 9.63 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.273 0.559 . . . . 25.0 110.167 -176.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.207 -0.901 . . . . 25.0 110.295 177.084 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 CA-C-O 119.085 -0.842 . . . . 25.0 111.525 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -64.68 173.01 2.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.471 0.635 . . . . 25.0 110.048 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.5 -41.78 95.03 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.014 0.435 . . . . 25.0 110.552 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.538 HD12 HG11 ' A' ' 14' ' ' VAL . 4.0 tt -64.72 -42.66 95.09 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.961 0.886 . . . . 25.0 110.246 177.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.54 -34.94 79.02 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.436 -0.79 . . . . 25.0 112.109 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.4 p -75.57 -26.91 58.32 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.524 -0.47 . . . . 25.0 110.076 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.01 95.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 85.3 mmm -69.82 -33.97 73.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.39 -27.83 65.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.806 -0.758 . . . . 25.0 109.613 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 46.0 m -64.65 -43.41 93.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 25.0 110.323 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -36.42 78.18 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 99.1 mt -64.3 -46.44 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -60.07 -47.29 86.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.708 0.289 . . . . 25.0 111.479 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.87 -44.16 98.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.34 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.57 -48.01 83.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.448 0.642 . . . . 25.0 110.597 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -69.64 -19.7 63.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -173.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.68 95.56 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.655 0.264 . . . . 25.0 111.461 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -93.37 -18.09 22.79 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.513 0.197 . . . . 25.0 111.392 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.3 m -59.65 149.23 31.07 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.89 11.37 53.41 Favored Glycine 0 CA--C 1.512 -0.129 0 N-CA-C 115.474 0.95 . . . . 25.0 115.474 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -63.08 -34.7 78.15 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.057 0.928 . . . . 25.0 109.436 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -89.61 -4.98 57.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.818 -1.083 . . . . 25.0 113.528 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.97 -31.0 9.2 Favored Glycine 0 N--CA 1.463 0.498 0 CA-C-O 119.84 -0.422 . . . . 25.0 113.599 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -80.28 110.19 15.48 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 105.032 -2.21 . . . . 25.0 105.032 173.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -73.38 -21.64 60.46 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.964 1.098 . . . . 25.0 113.964 -167.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -96.47 4.86 51.84 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 -176.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -117.22 162.8 17.28 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.628 0.771 . . . . 25.0 110.93 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.53 131.11 25.5 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 173.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 1.8 m -66.23 150.22 49.14 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.632 -0.427 . . . . 25.0 111.333 -175.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -61.03 -41.66 96.99 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.857 0.688 . . . . 25.0 112.857 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -30.25 71.01 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.639 1.109 . . . . 25.0 111.177 178.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -79.33 -23.49 43.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.583 0.706 . . . . 25.0 109.563 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.469 HD11 ' HD1' ' B' ' 74' ' ' TYR . 17.3 tp -64.4 -33.25 75.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.431 ' HB2' HD11 ' B' ' 61' ' ' LEU . 32.3 ttpt -63.09 -36.66 84.34 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 116.29 -0.413 . . . . 25.0 110.281 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.55 -47.21 84.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.66 -46.0 92.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.95 -0.568 . . . . 25.0 110.192 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.34 -28.93 69.64 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 121.236 0.541 . . . . 25.0 111.548 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -81.99 -18.69 42.48 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 122.728 0.411 . . . . 25.0 110.187 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 39.4 m -96.98 -51.71 4.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -100.69 -23.0 14.73 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 114.299 1.222 . . . . 25.0 114.299 -173.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.434 HD13 HD22 ' A' ' 4' ' ' LEU . 11.9 tp -104.92 11.13 33.93 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 176.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -38.63 25.06 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 115.483 1.66 . . . . 25.0 115.483 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.68 -31.22 67.81 Favored Glycine 0 C--N 1.322 -0.195 0 O-C-N 121.447 -0.783 . . . . 25.0 112.366 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -74.96 -24.91 58.54 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.616 -0.883 . . . . 25.0 108.616 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.76 -40.05 34.43 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.215 -0.448 . . . . 25.0 111.242 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.94 -34.96 79.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.709 0.766 . . . . 25.0 110.349 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.54 27.99 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.458 -0.792 . . . . 25.0 110.59 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -61.21 150.03 35.75 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.971 -0.752 . . . . 25.0 108.971 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -133.24 -50.71 0.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.187 0.518 . . . . 25.0 110.052 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -81.14 83.86 6.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.27 -1.011 . . . . 25.0 108.27 175.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.9 m -64.2 -30.35 49.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 25.0 111.361 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.49 -32.17 71.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.352 0.596 . . . . 25.0 110.263 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.22 -39.5 23.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.249 -0.432 . . . . 25.0 111.263 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 p -69.52 -40.0 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 -175.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -77.17 -27.22 53.66 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.306 -0.406 . . . . 25.0 110.856 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -55.28 -44.71 75.91 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 110.107 -0.331 . . . . 25.0 110.107 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.0 t -71.66 -41.6 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.601 0.715 . . . . 25.0 109.565 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.1 mmt -68.99 -47.96 64.27 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 115.949 -0.569 . . . . 25.0 112.49 -175.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -36.58 82.13 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.829 -0.348 . . . . 25.0 110.226 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -62.82 -42.9 99.92 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.082 -0.647 . . . . 25.0 110.148 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.55 -21.17 52.97 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 119.769 -0.772 . . . . 25.0 110.271 -178.24 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.52 -27.37 69.1 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.066 0.46 . . . . 25.0 110.462 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -102.97 -25.39 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.409 0.623 . . . . 25.0 111.301 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -97.25 10.45 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.425 0.631 . . . . 25.0 112.196 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.77 -17.33 60.35 Favored Glycine 0 C--O 1.22 -0.746 0 N-CA-C 116.59 1.396 . . . . 25.0 116.59 -169.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -82.89 -7.86 59.62 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.495 0.664 . . . . 25.0 110.453 -172.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.92 -162.91 37.13 Favored Glycine 0 N--CA 1.42 -2.382 0 N-CA-C 106.388 -2.685 . . . . 25.0 106.388 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 3.8 pm0 -143.46 166.76 23.89 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.527 -0.836 . . . . 25.0 110.277 -175.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.04 167.56 25.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 175.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -120.31 -174.1 2.71 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 104.509 -2.404 . . . . 25.0 104.509 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -52.7 -47.58 67.17 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 113.194 0.813 . . . . 25.0 113.194 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.492 ' HB2' HG11 ' A' ' 83' ' ' VAL . 62.3 tt0 -55.53 -48.7 74.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.356 0.525 . . . . 25.0 111.044 -176.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -72.09 -41.54 67.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.722 0.772 . . . . 25.0 109.652 -173.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.469 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -58.86 -40.92 85.75 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.499 -0.773 . . . . 25.0 110.419 -179.444 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 79.0 t -71.18 -36.68 63.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 122.261 -0.275 . . . . 25.0 111.014 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.89 -44.2 93.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.195 0.521 . . . . 25.0 109.683 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.35 -35.71 73.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.084 0.469 . . . . 25.0 111.035 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.7 t -63.36 -42.91 98.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.24 -0.652 . . . . 25.0 109.24 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.58 85.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.944 -0.472 . . . . 25.0 110.724 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -39.4 94.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.496 0.665 . . . . 25.0 110.105 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.14 -32.57 69.13 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.916 -0.49 . . . . 25.0 110.025 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.5 m -65.05 -43.24 92.94 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.994 -0.441 . . . . 25.0 110.85 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.494 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.2 m -71.48 -19.34 20.54 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 O-C-N 121.362 -0.836 . . . . 25.0 111.67 178.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.91 0.74 2.28 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 122.047 0.927 . . . . 25.0 112.422 170.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.38 -25.18 59.34 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.917 1.821 . . . . 25.0 115.917 -172.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -67.33 -20.82 65.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.636 0.731 . . . . 25.0 110.385 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -15.78 60.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.396 0.887 . . . . 25.0 113.396 176.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -68.11 9.64 0.29 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.646 1.35 . . . . 25.0 114.646 -175.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 82.7 m95 -97.7 4.24 50.04 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.809 -0.811 . . . . 25.0 108.809 -177.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -148.33 160.35 43.08 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 100.932 -3.729 . . . . 25.0 100.932 173.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -85.67 78.18 9.65 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.15 0.5 . . . . 25.0 109.823 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.248 0.988 0 CA-C-O 117.487 -1.244 . . . . 25.0 108.715 179.014 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.393 0 CA-C-O 118.867 -0.963 . . . . 25.0 111.44 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -65.71 175.63 1.82 Allowed 'General case' 0 C--O 1.236 0.394 0 CA-C-N 117.564 0.682 . . . . 25.0 110.226 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.4 -43.42 98.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.803 0.335 . . . . 25.0 110.315 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.432 HD12 HG11 ' B' ' 14' ' ' VAL . 2.6 tt -63.72 -41.83 98.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.904 0.859 . . . . 25.0 110.444 177.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.32 -35.01 79.27 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.297 -0.877 . . . . 25.0 112.259 -175.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.2 p -76.42 -26.51 55.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.591 -0.444 . . . . 25.0 109.861 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.85 92.55 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 172.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.2 mmm -70.26 -32.86 70.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.731 1.012 . . . . 25.0 113.731 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -68.87 -27.66 66.01 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 119.806 -0.758 . . . . 25.0 109.345 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.5 m -64.23 -42.09 96.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.876 0.369 . . . . 25.0 110.155 172.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.83 -34.98 78.45 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -67.1 -47.62 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -58.37 -47.26 84.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 25.0 111.796 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -73.59 -34.28 41.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.559 -0.291 . . . . 25.0 111.45 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.02 -45.45 92.74 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.187 -0.945 . . . . 25.0 108.911 171.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -65.37 -19.06 65.78 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.583 -0.735 . . . . 25.0 112.908 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.39 76.33 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.45 -0.781 . . . . 25.0 111.241 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -95.36 -12.67 25.66 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.444 ' HA ' HD13 ' A' ' 28' ' ' LEU . 92.8 p -66.73 173.25 3.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.149 0.5 . . . . 25.0 112.25 -177.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.55 -2.08 57.25 Favored Glycine 0 C--O 1.22 -0.733 0 C-N-CA 120.46 -0.876 . . . . 25.0 114.617 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -28.59 69.51 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 117.599 0.7 . . . . 25.0 109.971 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.87 -29.75 58.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.879 0.847 . . . . 25.0 111.421 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.91 -30.76 5.76 Favored Glycine 0 C--O 1.228 -0.226 0 N-CA-C 109.546 -1.422 . . . . 25.0 109.546 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -90.52 137.31 32.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 105.603 -1.999 . . . . 25.0 105.603 172.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -89.86 -8.0 52.98 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 113.64 0.978 . . . . 25.0 113.64 -172.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -103.18 15.41 29.32 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -133.73 153.75 51.47 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 114.829 -1.078 . . . . 25.0 111.212 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 19' ' ' SER . 10.3 tp -149.36 135.59 19.1 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.4 m -66.43 147.9 52.64 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.995 -0.441 . . . . 25.0 111.059 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -59.88 -48.77 80.35 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.895 1.072 . . . . 25.0 113.895 -174.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -32.45 66.02 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 176.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.19 -24.96 54.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.982 0.42 . . . . 25.0 111.025 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.06 -25.18 64.32 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.769 -0.582 . . . . 25.0 110.72 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HB2' HD11 ' A' ' 61' ' ' LEU . 33.1 ttpt -62.27 -32.57 73.3 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 120.288 -0.565 . . . . 25.0 109.824 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.09 -48.82 76.98 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.53 -46.16 91.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.82 -31.61 72.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.281 0.563 . . . . 25.0 111.57 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -81.9 -22.05 37.04 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.24 0.616 . . . . 25.0 112.08 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 m -100.34 -51.51 3.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -175.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -94.01 -26.92 16.59 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.441 HD13 HD22 ' B' ' 4' ' ' LEU . 15.3 tp -104.07 11.38 35.31 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.629 -1.249 . . . . 25.0 107.629 176.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -48.79 -40.93 30.83 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 116.078 1.881 . . . . 25.0 116.078 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.83 -37.12 75.2 Favored Glycine 0 C--O 1.229 -0.218 0 C-N-CA 120.401 -0.904 . . . . 25.0 110.927 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -69.12 -31.76 70.69 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.959 -0.73 . . . . 25.0 109.036 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.22 -40.96 74.23 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 123.355 0.41 . . . . 25.0 110.598 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.95 -35.54 80.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.669 0.747 . . . . 25.0 110.828 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.65 30.96 2.43 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.829 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -63.82 159.57 19.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.011 -0.54 . . . . 25.0 109.752 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -133.14 -53.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.484 0.659 . . . . 25.0 110.546 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -83.15 84.1 7.61 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.85 -25.1 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.943 -1.026 . . . . 25.0 112.407 -174.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.06 -43.98 70.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.34 0.591 . . . . 25.0 109.622 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.04 64.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.93 -175.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.58 -38.64 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -80.42 -30.47 37.69 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.264 -0.425 . . . . 25.0 111.152 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -35.47 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.967 -0.458 . . . . 25.0 110.243 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.5 t -72.64 -42.97 62.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -69.16 -47.83 63.92 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 116.176 -0.465 . . . . 25.0 111.951 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -36.0 82.4 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.45 -0.204 . . . . 25.0 110.45 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -61.39 -46.61 89.45 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.071 -0.652 . . . . 25.0 109.531 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -77.09 -21.45 54.3 Favored 'General case' 0 C--O 1.208 -1.108 0 C-N-CA 119.314 -0.954 . . . . 25.0 110.083 -175.286 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.43 -28.13 69.77 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.223 0.535 . . . . 25.0 110.593 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -102.24 -22.85 14.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.497 0.665 . . . . 25.0 110.627 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -95.26 18.04 13.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.39 23.99 2.7 Favored Glycine 0 C--O 1.218 -0.844 0 CA-C-N 115.721 -0.672 . . . . 25.0 113.5 -176.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.85 -10.72 11.65 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 120.734 0.302 . . . . 25.0 110.685 170.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.12 -155.66 31.89 Favored Glycine 0 N--CA 1.436 -1.356 0 CA-C-O 122.896 1.276 . . . . 25.0 111.53 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.3 pt-20 -153.88 162.76 40.96 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 113.747 -1.227 . . . . 25.0 110.039 -170.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 m -142.6 168.64 13.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 123.799 0.687 . . . . 25.0 111.021 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -119.67 -174.18 2.69 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.625 -1.62 . . . . 25.0 106.625 174.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -52.46 -47.47 66.44 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.793 1.035 . . . . 25.0 113.793 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.504 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.6 tt0 -55.76 -46.02 77.96 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.532 0.606 . . . . 25.0 110.911 -177.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.22 -39.65 68.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.997 0.903 . . . . 25.0 109.358 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -39.79 91.8 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.358 -0.837 . . . . 25.0 109.915 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.07 -36.14 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.416 -0.178 . . . . 25.0 110.594 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 72' ' ' GLN . 64.3 t -57.25 -45.25 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 176.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.03 -36.06 72.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.6 -178.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.6 -43.84 96.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.864 -0.421 . . . . 25.0 109.864 176.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.39 83.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.066 -0.396 . . . . 25.0 110.373 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.99 99.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.181 0.515 . . . . 25.0 110.631 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.45 -33.69 71.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.25 0.547 . . . . 25.0 109.944 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.7 m -64.23 -43.73 94.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.097 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.458 HG11 ' HB2' ' B' ' 72' ' ' GLN . 32.2 m -72.39 -19.0 19.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 O-C-N 121.68 -0.638 . . . . 25.0 112.341 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.05 0.69 1.78 Allowed 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 121.865 0.84 . . . . 25.0 111.192 170.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.08 -15.47 62.01 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.315 -1.491 . . . . 25.0 111.987 -176.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.473 ' HA ' ' HD1' ' A' ' 90' ' ' TRP . 13.2 t30 -56.3 -20.81 20.49 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 112.859 0.688 . . . . 25.0 112.859 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -55.54 -29.97 59.91 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.439 0.533 . . . . 25.0 112.439 174.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -68.55 -18.43 64.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 118.72 0.691 . . . . 25.0 111.76 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.473 ' HD1' ' HA ' ' A' ' 87' ' ' ASN . 22.8 m95 -111.15 7.09 21.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.705 -0.68 . . . . 25.0 110.584 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -118.09 103.14 9.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.569 0.699 . . . . 25.0 109.748 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -94.8 78.09 3.67 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 172.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 55.9 m . . . . . 0 C--O 1.246 0.918 0 CA-C-O 117.19 -1.386 . . . . 25.0 109.981 -179.094 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.169 0 CA-C-O 118.765 -1.02 . . . . 25.0 111.19 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.25 170.53 7.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.978 -1.119 . . . . 25.0 107.978 172.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -61.18 -35.67 77.79 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.207 0.527 . . . . 25.0 110.733 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.441 HD22 HD13 ' A' ' 41' ' ' LEU . 5.4 tt -63.81 -42.32 97.71 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 121.75 0.786 . . . . 25.0 110.077 176.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -69.35 -35.85 76.3 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 121.707 -0.62 . . . . 25.0 111.467 -175.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.6 p -73.84 -25.34 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.573 -0.451 . . . . 25.0 110.03 175.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.67 92.49 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 173.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 92.6 mmm -70.7 -33.44 70.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.908 0.707 . . . . 25.0 112.908 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.57 -27.01 65.69 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.1 m -64.63 -43.21 94.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.433 -0.349 . . . . 25.0 110.348 173.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.24 -36.82 81.03 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.373 -0.603 . . . . 25.0 109.373 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.7 mt -65.88 -45.5 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -58.9 -45.0 91.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.91 0.386 . . . . 25.0 111.034 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.432 HG11 HD12 ' A' ' 4' ' ' LEU . 76.3 t -67.19 -43.73 88.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 25.0 111.29 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -59.86 -44.17 94.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.406 0.622 . . . . 25.0 109.507 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -68.09 -18.65 64.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.45 89.48 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.897 -0.502 . . . . 25.0 111.62 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -101.87 -16.58 16.52 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 -177.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.7 p -64.55 157.04 27.95 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.345 1.239 . . . . 25.0 114.345 -174.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.64 15.17 25.51 Favored Glycine 0 N--CA 1.46 0.283 0 N-CA-C 117.498 1.759 . . . . 25.0 117.498 176.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -74.03 -34.52 64.13 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.617 1.209 . . . . 25.0 110.004 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -78.88 -13.32 59.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.346 -0.843 . . . . 25.0 112.363 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.89 -30.88 7.14 Favored Glycine 0 N--CA 1.454 -0.159 0 CA-C-N 116.071 -0.513 . . . . 25.0 112.9 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -87.61 120.17 28.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.434 -1.691 . . . . 25.0 106.434 174.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -73.2 -15.8 61.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.111 -171.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -105.04 17.05 24.8 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.234 0.54 . . . . 25.0 110.297 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -128.16 156.22 43.23 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -140.98 129.24 22.27 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 2.0 m -67.47 145.75 54.66 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.303 -0.248 . . . . 25.0 111.109 -177.061 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -59.26 -46.07 89.5 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.035 1.124 . . . . 25.0 114.035 -174.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -32.72 68.0 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.932 0.787 . . . . 25.0 112.373 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -77.89 -28.42 49.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.592 0.711 . . . . 25.0 110.008 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.421 HD22 HG21 ' B' ' 69' ' ' VAL . 17.5 tp -63.75 -34.5 78.02 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.002 -0.437 . . . . 25.0 110.026 176.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.565 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.9 ttpt -62.16 -34.7 76.91 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 120.387 -0.525 . . . . 25.0 110.669 179.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.97 -47.58 84.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.93 -46.06 92.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.785 -0.643 . . . . 25.0 109.665 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.43 -29.19 70.25 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 121.357 0.598 . . . . 25.0 111.801 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -81.87 -19.49 40.82 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.199 0.6 . . . . 25.0 110.822 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 45.0 m -99.6 -59.91 1.63 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.643 -0.708 . . . . 25.0 112.267 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -83.94 -27.19 28.69 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 -176.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.407 ' HG ' ' HB2' ' B' ' 44' ' ' PHE . 8.4 tp -106.36 13.61 28.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.621 0.724 . . . . 25.0 109.583 178.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.24 -39.98 57.84 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.566 1.691 . . . . 25.0 115.566 177.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.27 -34.83 63.97 Favored Glycine 0 C--O 1.224 -0.528 0 N-CA-C 110.956 -0.858 . . . . 25.0 110.956 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.407 ' HB2' ' HG ' ' B' ' 41' ' ' LEU . 7.9 m-30 -69.52 -31.03 69.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.91 -0.759 . . . . 25.0 109.04 175.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.87 -39.26 76.44 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.719 0.295 . . . . 25.0 110.503 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -67.96 -30.34 69.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.885 0.85 . . . . 25.0 110.41 176.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.3 29.03 2.99 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 115.58 -0.736 . . . . 25.0 109.304 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -67.07 150.67 48.88 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -138.28 -49.25 0.55 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -78.85 89.57 4.67 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 115.296 -0.865 . . . . 25.0 109.39 172.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.4 ' HA ' HG12 ' B' ' 54' ' ' VAL . 30.3 m -67.95 -24.09 29.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.937 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.14 -39.87 60.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.56 0.695 . . . . 25.0 109.578 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.65 -36.79 37.28 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.394 0.516 . . . . 25.0 112.394 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' B' ' 51' ' ' VAL . 8.7 p -65.29 -39.03 84.06 Favored 'Isoleucine or valine' 0 C--O 1.248 1.005 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -79.11 -24.46 43.4 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 121.911 0.863 . . . . 25.0 111.371 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -60.35 -27.33 67.3 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.571 -0.74 . . . . 25.0 111.15 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -85.52 -45.08 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.578 0.704 . . . . 25.0 109.617 176.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 8.6 mmt -66.8 -54.2 25.04 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.934 -0.575 . . . . 25.0 112.543 -173.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -35.33 79.94 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 121.159 -0.216 . . . . 25.0 110.584 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.21 -49.34 78.0 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.505 -0.478 . . . . 25.0 109.989 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -76.8 -20.38 56.47 Favored 'General case' 0 C--O 1.209 -1.036 0 C-N-CA 119.521 -0.871 . . . . 25.0 109.894 -175.135 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.55 -26.44 67.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 25.0 110.432 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -100.54 -26.59 13.79 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.555 0.693 . . . . 25.0 110.348 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -95.39 21.98 7.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 25.0 109.669 177.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.54 24.23 2.7 Favored Glycine 0 C--O 1.215 -1.073 0 CA-C-N 115.726 -0.67 . . . . 25.0 112.826 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -115.86 -7.78 12.0 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 122.586 -0.361 . . . . 25.0 111.287 170.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.82 -157.86 32.82 Favored Glycine 0 N--CA 1.435 -1.428 0 N-CA-C 109.619 -1.392 . . . . 25.0 109.619 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 12.3 pt-20 -151.96 164.61 36.8 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.127 -1.037 . . . . 25.0 110.363 -174.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.421 HG21 HD22 ' B' ' 33' ' ' LEU . 3.0 m -135.33 172.74 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.449 -0.796 . . . . 25.0 109.479 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -119.9 -174.07 2.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.127 -1.805 . . . . 25.0 106.127 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -54.79 -47.01 74.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.287 0.847 . . . . 25.0 113.287 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.458 ' HB2' HG11 ' A' ' 83' ' ' VAL . 64.9 tt0 -55.25 -48.09 74.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 118.186 0.448 . . . . 25.0 110.917 -177.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -68.48 -43.76 76.24 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 108.669 -0.863 . . . . 25.0 108.669 -173.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -41.04 82.61 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.275 -0.875 . . . . 25.0 110.571 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.2 t -71.78 -36.62 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 122.171 -0.331 . . . . 25.0 111.076 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.426 HG22 HG22 ' A' ' 76' ' ' VAL . 54.0 t -60.21 -43.97 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 109.638 -0.504 . . . . 25.0 109.638 177.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.2 mt -69.76 -36.62 75.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.094 0.473 . . . . 25.0 110.788 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.7 t -62.16 -44.72 99.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.164 -0.68 . . . . 25.0 109.164 175.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.87 88.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.018 -0.426 . . . . 25.0 110.679 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.55 98.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.5 0.667 . . . . 25.0 110.503 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.35 -33.27 72.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.312 0.577 . . . . 25.0 110.099 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 51.0 m -65.11 -45.1 86.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.295 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.8 m -71.38 -22.13 22.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 O-C-N 121.343 -0.848 . . . . 25.0 111.431 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.78 -4.38 6.48 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.472 0.653 . . . . 25.0 111.296 172.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -41.78 -22.19 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 120.085 3.365 . . . . 25.0 120.085 -172.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -26.88 8.42 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.828 1.788 . . . . 25.0 115.828 -176.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -70.8 -20.81 62.55 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 112.742 0.645 . . . . 25.0 112.742 -177.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -85.29 -17.45 36.86 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -120.17 -0.4 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 114.861 1.43 . . . . 25.0 114.861 -171.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -128.88 103.2 6.9 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -94.54 94.51 8.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.991 -1.004 . . . . 25.0 110.144 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.208 -0.901 . . . . 25.0 110.616 176.724 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 119.536 -0.591 . . . . 25.0 111.779 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -70.7 178.76 2.89 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 171.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.23 -44.06 95.52 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.404 0.621 . . . . 25.0 110.831 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.446 HD22 HD13 ' B' ' 41' ' ' LEU . 3.8 tt -65.54 -41.77 92.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.907 0.86 . . . . 25.0 109.648 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.18 -34.79 76.94 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 121.348 -0.845 . . . . 25.0 111.598 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 p -71.3 -27.89 63.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 120.113 -0.635 . . . . 25.0 109.775 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.03 -46.77 82.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.3 mmm -71.81 -32.78 67.94 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.064 0.764 . . . . 25.0 113.064 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -69.8 -25.86 63.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.8 m -67.44 -42.91 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.081 -0.387 . . . . 25.0 110.615 171.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.44 -34.5 74.07 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.21 -48.7 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -57.63 -50.36 73.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.073 0.463 . . . . 25.0 110.436 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.72 -45.78 97.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.631 -0.713 . . . . 25.0 112.279 -177.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -61.2 -47.86 84.18 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.674 -0.641 . . . . 25.0 110.535 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -74.08 -13.87 60.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -174.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.61 -54.18 48.96 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 117.995 0.361 . . . . 25.0 111.481 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.306 13.9 p80 -126.91 30.05 5.54 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 177.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 p -63.23 171.0 2.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 113.852 -1.522 . . . . 25.0 108.426 162.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.26 31.06 48.29 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.135 -1.031 . . . . 25.0 115.393 173.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -67.2 -30.23 70.11 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 106.453 -1.684 . . . . 25.0 106.453 172.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -86.54 -5.56 59.12 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.397 -1.274 . . . . 25.0 113.088 175.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.98 -29.86 10.16 Favored Glycine 0 N--CA 1.461 0.31 0 N-CA-C 115.625 1.01 . . . . 25.0 115.625 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -88.24 115.52 25.8 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.509 1.155 . . . . 25.0 108.503 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -75.69 -10.96 59.88 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -171.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.29 1.43 57.23 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.15 159.37 37.03 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.959 -0.564 . . . . 25.0 110.525 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 33' ' ' LEU . 14.3 tp -147.87 134.66 20.04 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 172.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 8.6 m -66.6 146.59 54.33 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 -177.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -55.8 -50.36 70.69 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.441 0.904 . . . . 25.0 113.441 -176.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HD2' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -58.62 -30.07 66.99 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.349 0.522 . . . . 25.0 112.255 177.098 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.5 -26.24 38.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.363 0.601 . . . . 25.0 110.378 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 28' ' ' LEU . 14.4 tp -67.26 -33.59 75.64 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 121.594 -0.691 . . . . 25.0 109.325 176.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HB2' HD11 ' A' ' 61' ' ' LEU . 32.1 ttpt -56.48 -36.71 69.42 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 120.826 -0.35 . . . . 25.0 110.653 176.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.5 -48.09 81.1 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.36 -43.62 98.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.628 0.728 . . . . 25.0 110.446 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.3 mt -65.66 -31.11 71.95 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.71 -0.677 . . . . 25.0 112.388 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -81.83 -22.58 36.93 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 123.028 0.531 . . . . 25.0 109.807 -178.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.1 m -88.29 -51.62 5.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.796 -0.638 . . . . 25.0 111.333 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -90.37 -44.84 9.4 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.31 0.856 . . . . 25.0 113.31 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.449 HD13 HD22 ' B' ' 4' ' ' LEU . 10.5 tp -86.27 8.26 21.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.264 0.554 . . . . 25.0 110.406 -177.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.13 -36.73 8.81 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 115.574 1.694 . . . . 25.0 115.574 175.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.35 -36.77 63.16 Favored Glycine 0 C--O 1.223 -0.557 0 C-N-CA 120.525 -0.845 . . . . 25.0 111.711 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -72.88 -28.13 62.31 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.771 -0.826 . . . . 25.0 108.771 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.75 -40.59 84.08 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 177.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.36 -31.6 67.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.599 0.714 . . . . 25.0 111.392 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.58 20.99 4.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 -176.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.69 153.29 28.6 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.265 -0.425 . . . . 25.0 109.931 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -133.73 -46.42 0.8 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.368 -0.975 . . . . 25.0 108.368 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -83.56 87.82 7.02 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.072 -1.084 . . . . 25.0 108.072 174.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.33 -28.24 44.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.555 -0.748 . . . . 25.0 110.148 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.8 -41.14 79.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.99 -37.99 33.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.024 -0.534 . . . . 25.0 112.145 -175.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.4 -39.23 84.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.328 -0.989 . . . . 25.0 108.328 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -80.42 -30.0 37.67 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.019 -0.537 . . . . 25.0 110.029 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -58.06 -42.75 86.13 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 120.522 -0.471 . . . . 25.0 109.965 176.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.7 t -69.01 -40.69 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 108.561 -0.903 . . . . 25.0 108.561 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mmt -67.66 -52.22 40.59 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.584 -0.734 . . . . 25.0 111.751 -177.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -38.97 93.1 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 121.04 -0.264 . . . . 25.0 110.571 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -60.41 -42.23 95.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.104 -0.332 . . . . 25.0 110.104 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.96 -24.35 43.96 Favored 'General case' 0 C--O 1.206 -1.221 0 C-N-CA 118.858 -1.137 . . . . 25.0 110.455 -178.452 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.75 -26.6 66.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.167 0.508 . . . . 25.0 110.53 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -93.09 -24.18 18.38 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 122.017 0.913 . . . . 25.0 108.71 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -95.14 17.7 13.64 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.64 32.52 2.13 Favored Glycine 0 C--O 1.216 -1.004 0 CA-C-N 115.873 -0.603 . . . . 25.0 113.506 -173.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -115.81 -29.87 6.27 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.356 -0.422 . . . . 25.0 110.225 174.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.51 -151.33 13.19 Favored Glycine 0 N--CA 1.441 -1.025 0 CA-C-O 122.755 1.197 . . . . 25.0 111.828 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 15.3 pt-20 -151.18 165.23 34.56 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.843 -1.178 . . . . 25.0 110.252 -169.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.46 HG21 HD22 ' A' ' 33' ' ' LEU . 5.4 m -135.89 175.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.25 -0.886 . . . . 25.0 110.027 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -127.91 -174.28 3.16 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.315 -2.106 . . . . 25.0 105.315 174.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -52.11 -49.19 64.13 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.493 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.4 tt0 -55.59 -44.92 77.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.655 0.661 . . . . 25.0 111.156 -176.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -42.21 70.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.11 0.957 . . . . 25.0 109.947 -176.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -38.35 82.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.249 -0.887 . . . . 25.0 110.179 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.8 t -71.83 -35.83 56.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.613 0.244 . . . . 25.0 110.678 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 72' ' ' GLN . 79.0 t -58.69 -45.73 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 177.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.39 -37.8 77.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.17 0.51 . . . . 25.0 111.022 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.5 t -61.54 -45.58 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.77 88.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.1 -0.375 . . . . 25.0 110.624 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.34 99.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.262 0.553 . . . . 25.0 110.745 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 tt -69.35 -38.08 77.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.69 0.757 . . . . 25.0 110.064 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.8 m -58.49 -44.33 89.36 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.962 -0.563 . . . . 25.0 111.294 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.7 m -73.09 -25.64 21.99 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.27 -27.56 68.72 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 122.268 1.032 . . . . 25.0 109.676 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -79.55 -15.36 57.83 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.176 -1.578 . . . . 25.0 114.563 -171.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -56.73 -20.93 24.59 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.28 0.562 . . . . 25.0 112.195 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -45.23 -16.06 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 115.126 1.528 . . . . 25.0 115.126 170.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -51.25 -32.52 24.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.489 0.716 . . . . 25.0 112.757 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -82.11 9.62 8.22 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 114.768 1.396 . . . . 25.0 114.768 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -89.26 103.51 16.13 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 106.122 -1.807 . . . . 25.0 106.122 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -77.38 98.12 5.14 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.096 -0.956 . . . . 25.0 110.343 -173.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.47 -0.776 . . . . 25.0 110.22 179.541 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 CA-C-O 119.247 -0.752 . . . . 25.0 111.844 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -179.42 0.74 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 117.55 0.675 . . . . 25.0 110.913 175.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -61.42 -45.02 96.08 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.345 0.593 . . . . 25.0 110.589 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.449 HD22 HD13 ' A' ' 41' ' ' LEU . 3.6 tt -65.64 -40.28 92.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.195 0.997 . . . . 25.0 109.807 178.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -69.05 -35.67 76.82 Favored 'General case' 0 C--N 1.314 -0.95 0 O-C-N 121.536 -0.727 . . . . 25.0 111.957 -175.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -73.06 -29.73 63.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.3 86.7 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 173.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.8 mmm -73.27 -31.03 63.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -71.7 -24.95 61.9 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.1 m -66.23 -43.29 87.07 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.165 -0.334 . . . . 25.0 110.157 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.82 -33.68 73.39 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.052 -0.722 . . . . 25.0 109.052 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 69.7 mt -66.24 -47.28 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -58.39 -50.13 74.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.383 0.611 . . . . 25.0 110.319 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.06 -43.49 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.444 -0.798 . . . . 25.0 112.03 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -59.36 -47.35 85.75 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.676 -0.64 . . . . 25.0 109.733 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -73.85 -14.23 61.05 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.016 1.117 . . . . 25.0 114.016 -174.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.31 93.98 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 174.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -99.39 -17.1 18.16 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.413 0.894 . . . . 25.0 113.413 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.5 p -63.5 164.84 8.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.029 0.752 . . . . 25.0 113.029 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.72 0.88 66.25 Favored Glycine 0 C--O 1.227 -0.304 0 N-CA-C 114.814 0.686 . . . . 25.0 114.814 177.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -61.89 -33.81 74.89 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.241 -0.651 . . . . 25.0 109.241 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -103.58 40.74 1.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 116.049 1.87 . . . . 25.0 116.049 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.06 -30.68 3.23 Favored Glycine 0 C--N 1.306 -1.102 0 N-CA-C 117.748 1.859 . . . . 25.0 117.748 172.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -109.5 125.57 52.61 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -74.46 -18.48 60.63 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -173.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.65 6.53 48.72 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.778 -0.576 . . . . 25.0 109.6 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -124.42 164.59 19.36 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.721 -0.672 . . . . 25.0 110.95 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -148.86 135.37 19.53 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.817 -1.549 . . . . 25.0 106.817 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.456 ' HB2' ' HD3' ' B' ' 31' ' ' LYS . 0.2 OUTLIER -65.94 150.79 48.08 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 178.239 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -62.73 -39.3 93.66 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.456 ' HD3' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -67.1 -29.39 69.12 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.95 1.25 . . . . 25.0 109.325 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -79.93 -24.57 40.97 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.307 -0.86 . . . . 25.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.455 HD22 HG21 ' B' ' 69' ' ' VAL . 25.9 tp -66.43 -35.63 80.77 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 121.263 0.554 . . . . 25.0 109.645 175.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.518 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.7 ttpt -60.72 -32.58 71.83 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.496 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -62.17 -47.37 84.83 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.67 -46.78 88.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.653 0.74 . . . . 25.0 109.158 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mp -63.73 -31.8 73.09 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 115.734 -0.666 . . . . 25.0 111.369 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -81.05 -22.7 39.1 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.976 -0.452 . . . . 25.0 111.054 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 62.6 m -88.68 -51.6 5.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.774 -0.648 . . . . 25.0 111.548 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -95.57 -44.14 7.63 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.446 HD13 HD22 ' A' ' 4' ' ' LEU . 9.7 tp -84.64 9.83 12.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.727 0.775 . . . . 25.0 109.943 -178.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.5 -34.91 26.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 115.125 1.528 . . . . 25.0 115.125 175.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.9 63.46 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.269 -0.967 . . . . 25.0 111.222 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -70.8 -25.53 62.91 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.04 -0.683 . . . . 25.0 109.357 176.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.2 mt -76.86 -39.62 50.51 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 117.059 -0.064 . . . . 25.0 111.045 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.66 -36.58 80.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.722 0.772 . . . . 25.0 110.601 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.96 29.76 5.24 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.748 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -62.57 159.8 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.101 -0.5 . . . . 25.0 110.013 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -135.4 -52.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.519 -0.31 . . . . 25.0 110.956 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -79.06 91.16 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.807 -0.812 . . . . 25.0 108.807 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.8 -26.8 37.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.169 -0.469 . . . . 25.0 111.381 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.05 -42.82 56.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.5 -0.556 . . . . 25.0 109.5 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.42 55.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 -176.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.48 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.406 -0.961 . . . . 25.0 108.406 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -80.53 -27.34 37.64 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.393 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -38.19 68.15 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 176.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.1 t -74.46 -43.4 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.316 0.579 . . . . 25.0 109.674 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.7 mmt -70.27 -50.5 38.91 Favored 'General case' 0 CA--C 1.496 -1.121 0 N-CA-C 112.826 0.676 . . . . 25.0 112.826 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -35.89 81.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.102 -0.333 . . . . 25.0 110.102 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.25 -47.42 86.13 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.298 -0.561 . . . . 25.0 109.593 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.12 -21.69 53.81 Favored 'General case' 0 C--O 1.204 -1.342 0 C-N-CA 119.316 -0.953 . . . . 25.0 110.342 -175.649 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.75 -28.08 68.44 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.984 0.421 . . . . 25.0 111.16 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -108.06 -15.55 14.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.313 0.578 . . . . 25.0 111.616 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -102.64 13.68 33.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.483 0.659 . . . . 25.0 109.335 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.08 -18.65 60.49 Favored Glycine 0 C--O 1.221 -0.686 0 N-CA-C 115.587 0.995 . . . . 25.0 115.587 -169.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.98 5.34 51.42 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.776 0.798 . . . . 25.0 111.328 -171.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.49 -160.39 36.29 Favored Glycine 0 N--CA 1.416 -2.669 1 N-CA-C 102.803 -4.119 . . . . 25.0 102.803 171.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.73 161.24 42.61 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 122.3 -0.529 . . . . 25.0 109.88 -175.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.455 HG21 HD22 ' B' ' 33' ' ' LEU . 5.2 m -135.56 165.62 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 114.47 -1.241 . . . . 25.0 109.543 -178.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -118.67 -174.26 2.65 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 105.93 -1.878 . . . . 25.0 105.93 175.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -52.43 -47.22 66.51 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.446 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.6 tt0 -54.22 -47.57 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.177 0.444 . . . . 25.0 111.395 -177.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -44.65 65.56 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.998 0.904 . . . . 25.0 109.602 -175.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.454 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -56.27 -39.68 73.01 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.964 -1.016 . . . . 25.0 110.376 -178.348 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.7 t -72.18 -36.87 57.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 122.426 -0.172 . . . . 25.0 110.891 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.424 HG22 HG22 ' A' ' 76' ' ' VAL . 55.9 t -60.85 -44.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.317 0.58 . . . . 25.0 109.839 177.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.6 mt -69.57 -37.39 76.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.175 0.512 . . . . 25.0 110.356 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 t -63.12 -42.66 97.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.968 -0.56 . . . . 25.0 109.597 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.34 85.26 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.988 -0.445 . . . . 25.0 110.671 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.88 98.22 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.174 0.511 . . . . 25.0 110.363 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.52 -35.61 75.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.516 0.674 . . . . 25.0 109.852 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 63.0 m -62.1 -42.9 99.68 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.05 -0.406 . . . . 25.0 111.39 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.5 m -72.88 -23.86 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 121.292 -0.88 . . . . 25.0 112.053 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.21 -28.88 69.09 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 122.605 1.193 . . . . 25.0 109.121 172.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -94.78 -10.43 31.53 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.0 2.12 . . . . 25.0 113.284 -175.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.0 -20.67 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 116.467 2.025 . . . . 25.0 116.467 -170.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -49.3 -20.5 0.66 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -58.57 -28.84 65.91 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.658 -0.651 . . . . 25.0 110.786 174.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -111.3 7.36 21.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.869 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -140.05 113.17 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.25 0.547 . . . . 25.0 112.264 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -84.12 81.83 8.63 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 176.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.035 -0.983 . . . . 25.0 110.598 177.762 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.642 0 CA-C-O 119.505 -0.608 . . . . 25.0 111.884 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -179.3 0.86 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 117.346 0.573 . . . . 25.0 110.538 174.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -62.42 -46.41 88.68 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.419 0.628 . . . . 25.0 110.652 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.58 -40.05 94.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.96 0.886 . . . . 25.0 109.661 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -69.64 -35.29 75.08 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.831 -0.543 . . . . 25.0 112.305 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -73.84 -29.66 62.25 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.36 93.98 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 108.015 -1.106 . . . . 25.0 108.015 173.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.2 mmm -72.22 -32.65 66.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.739 1.014 . . . . 25.0 113.739 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.37 -23.8 61.97 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.844 -0.798 . . . . 25.0 108.844 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.2 m -65.57 -42.8 91.36 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.456 -0.338 . . . . 25.0 110.567 171.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.96 -35.01 74.06 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.06 -43.51 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.42 -45.22 94.4 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.547 0.689 . . . . 25.0 110.757 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG11 HD12 ' B' ' 4' ' ' LEU . 76.5 t -64.59 -44.57 96.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.537 -0.756 . . . . 25.0 111.14 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.01 -43.42 98.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.642 -0.661 . . . . 25.0 110.16 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -61.02 -25.3 66.81 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.496 0.718 . . . . 25.0 112.164 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.55 99.48 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.814 -0.554 . . . . 25.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -103.15 -18.07 15.09 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -65.72 166.47 10.83 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.86 1.059 . . . . 25.0 113.86 -174.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.54 2.93 43.82 Favored Glycine 0 C--O 1.221 -0.687 0 C-N-CA 121.103 -0.57 . . . . 25.0 112.301 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -65.5 -32.2 73.68 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 120.85 0.357 . . . . 25.0 110.964 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -75.79 -29.81 58.87 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.924 0.869 . . . . 25.0 110.203 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.73 -30.73 5.62 Favored Glycine 0 C--N 1.322 -0.199 0 N-CA-C 108.722 -1.751 . . . . 25.0 108.722 -175.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -88.27 136.7 32.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 106.165 -1.791 . . . . 25.0 106.165 172.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -81.91 -17.7 46.25 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -173.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -84.54 4.91 29.84 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 122.209 -0.307 . . . . 25.0 110.356 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -125.74 145.06 50.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.391 0.615 . . . . 25.0 112.634 -177.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.19 129.56 17.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.612 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.2 m -63.58 144.66 56.82 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -61.03 -47.4 86.56 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.599 0.963 . . . . 25.0 113.599 -173.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -31.43 67.08 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 120.88 0.371 . . . . 25.0 111.821 178.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -76.3 -29.81 57.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.446 0.641 . . . . 25.0 109.388 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.515 HD11 ' HD1' ' A' ' 74' ' ' TYR . 27.5 tp -68.22 -27.14 66.12 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 121.889 -0.507 . . . . 25.0 111.694 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.555 ' HB2' HD11 ' A' ' 61' ' ' LEU . 31.9 ttpt -62.1 -30.59 71.12 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.012 -0.675 . . . . 25.0 110.36 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -66.97 -47.37 71.78 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.36 -44.08 95.93 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.946 -0.57 . . . . 25.0 109.606 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.0 mt -63.54 -28.71 70.13 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 121.084 0.469 . . . . 25.0 111.519 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -81.7 -22.49 37.38 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 122.009 -0.432 . . . . 25.0 111.604 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.2 m -97.19 -52.79 3.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.676 -0.693 . . . . 25.0 112.843 -174.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -89.09 -31.33 18.08 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 121.096 0.474 . . . . 25.0 112.074 -177.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 41' ' ' LEU . 7.2 tp -100.57 11.89 38.51 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.623 0.725 . . . . 25.0 109.811 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -42.09 24.83 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 116.128 1.899 . . . . 25.0 116.128 175.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.39 -30.08 61.0 Favored Glycine 0 C--O 1.226 -0.367 0 N-CA-C 110.944 -0.862 . . . . 25.0 110.944 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -71.46 -31.6 67.35 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 174.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.5 -40.42 77.0 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.62 -34.41 78.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.568 0.699 . . . . 25.0 111.348 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.99 28.71 4.22 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 116.026 -0.534 . . . . 25.0 110.124 -177.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.57 154.26 36.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -129.25 -50.41 1.19 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.428 0.633 . . . . 25.0 109.668 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -83.57 80.84 8.98 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.681 -1.229 . . . . 25.0 107.681 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.34 -23.75 33.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 114.985 -1.007 . . . . 25.0 112.422 -175.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.68 -40.81 61.18 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.387 -0.525 . . . . 25.0 110.039 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.45 -35.91 53.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.843 -0.535 . . . . 25.0 112.133 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -61.64 -37.4 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.007 -1.108 . . . . 25.0 108.007 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.83 -32.2 63.58 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 114.273 -1.331 . . . . 25.0 111.17 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -32.1 72.32 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.407 -0.517 . . . . 25.0 111.866 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -70.67 -42.46 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 107.699 -1.222 . . . . 25.0 107.699 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 mmt -66.46 -48.0 71.32 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 115.071 -0.968 . . . . 25.0 112.444 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -38.07 88.33 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.69 -179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -60.87 -45.79 93.16 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.68 -23.27 45.73 Favored 'General case' 0 C--O 1.201 -1.476 0 C-N-CA 118.65 -1.22 . . . . 25.0 109.25 -172.538 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.65 -21.65 65.36 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.938 -0.476 . . . . 25.0 112.085 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.29 -25.11 14.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.457 0.646 . . . . 25.0 110.48 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -96.97 13.29 29.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.037 0.923 . . . . 25.0 109.577 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.87 35.93 2.7 Favored Glycine 0 CA--C 1.496 -1.101 0 CA-C-N 115.048 -0.978 . . . . 25.0 113.432 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -115.44 -26.91 7.36 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 172.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.59 -156.66 32.72 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 108.853 -1.699 . . . . 25.0 108.853 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 7.8 mp0 -141.54 158.62 43.61 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 113.66 -1.27 . . . . 25.0 110.243 -173.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.01 172.9 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 114.673 -1.149 . . . . 25.0 109.286 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -116.03 -174.53 2.56 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.401 -1.333 . . . . 25.0 107.401 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -53.97 -46.53 71.68 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 113.045 0.757 . . . . 25.0 113.045 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.497 ' O ' HG23 ' A' ' 76' ' ' VAL . 64.8 tt0 -55.44 -45.6 76.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 118.382 0.537 . . . . 25.0 111.058 -177.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -74.25 -37.69 63.7 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.969 0.89 . . . . 25.0 110.059 -174.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.515 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -59.58 -39.19 83.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.455 -0.793 . . . . 25.0 109.032 178.325 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 76.4 t -72.9 -36.54 52.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 122.439 -0.163 . . . . 25.0 110.805 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 72' ' ' GLN . 68.2 t -57.36 -46.74 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 176.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.8 -37.64 79.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.066 0.46 . . . . 25.0 111.184 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 t -63.41 -44.91 99.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.788 -0.449 . . . . 25.0 109.788 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.25 84.19 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.91 -0.494 . . . . 25.0 110.177 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.88 95.08 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.075 0.464 . . . . 25.0 110.639 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.91 -36.11 75.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.133 0.492 . . . . 25.0 109.741 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.2 m -63.98 -43.4 95.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.361 -0.382 . . . . 25.0 111.763 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.598 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.3 m -67.01 -23.68 31.19 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 O-C-N 121.48 -0.762 . . . . 25.0 112.715 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.67 -5.38 1.87 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 121.492 0.663 . . . . 25.0 111.976 171.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -73.38 -15.7 61.36 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.54 1.311 . . . . 25.0 114.54 -170.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -57.15 -21.09 30.26 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.548 0.613 . . . . 25.0 111.816 176.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -59.19 -16.98 23.59 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.025 0.75 . . . . 25.0 113.025 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.42 -31.14 67.44 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.238 0.542 . . . . 25.0 110.187 173.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -102.15 16.88 24.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -108.9 103.48 12.54 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.288 0.566 . . . . 25.0 109.761 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -85.7 78.39 9.6 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 175.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.056 -0.973 . . . . 25.0 110.307 176.423 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 CA-C-O 119.438 -0.646 . . . . 25.0 111.868 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.69 173.83 4.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 174.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -59.84 -44.76 93.91 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.28 0.562 . . . . 25.0 111.246 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.408 HD12 HG11 ' A' ' 14' ' ' VAL . 2.2 tt -65.9 -39.57 90.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.832 0.825 . . . . 25.0 110.141 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.63 -38.45 89.43 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.495 -0.753 . . . . 25.0 111.223 -177.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.8 p -72.54 -27.89 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.165 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.8 80.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 174.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.6 mmm -71.58 -31.82 67.38 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.08 -28.47 67.39 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.9 m -65.86 -43.19 89.13 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 122.116 -0.365 . . . . 25.0 110.327 172.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.02 -36.02 80.31 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.9 mt -66.55 -47.7 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -57.6 -50.94 71.5 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.253 0.549 . . . . 25.0 111.262 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.76 -34.02 58.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-N 115.841 -0.618 . . . . 25.0 112.141 -175.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.26 -45.66 92.32 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.224 -0.922 . . . . 25.0 109.074 171.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -67.59 -16.54 64.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.484 -0.78 . . . . 25.0 112.652 -176.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.85 -42.67 73.24 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.623 -0.673 . . . . 25.0 110.757 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -95.8 -12.37 25.41 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.449 ' HA ' ' HG ' ' B' ' 28' ' ' LEU . 82.3 p -64.39 160.22 19.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.649 0.738 . . . . 25.0 111.684 -177.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.2 1.69 69.29 Favored Glycine 0 C--O 1.221 -0.662 0 C-N-CA 120.583 -0.817 . . . . 25.0 114.577 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -59.31 -39.05 81.85 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 117.636 0.718 . . . . 25.0 109.328 176.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -77.4 -25.96 51.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.74 -1.118 . . . . 25.0 112.879 -176.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.3 -31.05 4.13 Favored Glycine 0 C--N 1.321 -0.257 0 CA-C-N 115.607 -0.724 . . . . 25.0 113.538 -176.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -93.92 124.68 38.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.5 -1.667 . . . . 25.0 106.5 173.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -77.25 -13.76 59.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -172.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -96.39 8.16 44.7 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.789 -0.57 . . . . 25.0 109.509 176.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -128.59 160.17 33.23 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.632 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.449 ' HG ' ' HA ' ' B' ' 19' ' ' SER . 0.0 OUTLIER -142.21 136.02 29.49 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 106.113 -1.81 . . . . 25.0 106.113 178.41 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.55 150.93 45.6 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -63.68 -42.29 98.06 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 113.937 1.088 . . . . 25.0 113.937 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -29.92 71.0 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.038 -1.039 . . . . 25.0 109.678 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -80.56 -24.08 39.49 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.551 -0.749 . . . . 25.0 110.365 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.477 HD11 ' HD1' ' B' ' 74' ' ' TYR . 17.0 tp -66.25 -36.6 83.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.703 -0.623 . . . . 25.0 109.633 175.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.526 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.2 ttpt -61.2 -32.76 72.53 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.288 -0.415 . . . . 25.0 110.394 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -62.58 -47.65 82.88 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.15 -46.48 88.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.665 0.745 . . . . 25.0 109.343 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mp -64.17 -32.33 73.87 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.698 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -81.9 -22.32 36.9 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.828 -0.545 . . . . 25.0 110.834 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 66.4 m -86.75 -50.54 6.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.852 -0.613 . . . . 25.0 111.323 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.87 -45.08 6.44 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.609 0.966 . . . . 25.0 113.609 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.0 tp -83.75 9.32 12.11 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.643 0.735 . . . . 25.0 109.743 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -37.0 43.4 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 114.946 1.462 . . . . 25.0 114.946 175.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.02 -37.17 73.46 Favored Glycine 0 C--O 1.229 -0.194 0 C-N-CA 120.33 -0.938 . . . . 25.0 110.818 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -71.01 -30.0 66.11 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.883 -0.775 . . . . 25.0 109.308 176.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.99 -41.16 78.22 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.844 -0.428 . . . . 25.0 109.844 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -67.39 -32.94 74.18 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.468 0.652 . . . . 25.0 111.559 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.68 29.39 4.52 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 116.06 -0.518 . . . . 25.0 110.502 -176.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -64.86 153.6 39.71 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -124.95 -53.21 1.65 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 175.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -81.05 84.25 6.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.686 0.755 . . . . 25.0 109.373 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.9 m -62.51 -23.78 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.11 -0.95 . . . . 25.0 112.614 -175.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -75.56 -39.08 58.68 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.884 -0.51 . . . . 25.0 110.28 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.76 -38.53 58.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.774 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -63.22 -37.61 79.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 122.061 0.934 . . . . 25.0 108.621 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -76.02 -30.47 58.5 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.797 -1.092 . . . . 25.0 111.327 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -36.0 81.17 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.547 -0.461 . . . . 25.0 111.594 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.02 -43.03 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 122.195 0.998 . . . . 25.0 108.765 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.5 mmt -68.54 -49.59 58.36 Favored 'General case' 0 CA--C 1.493 -1.238 0 CA-C-N 115.122 -0.945 . . . . 25.0 112.766 -175.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -35.08 79.59 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 123.101 0.251 . . . . 25.0 110.341 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.19 -48.42 81.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.915 -0.772 . . . . 25.0 108.915 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.3 OUTLIER -79.69 -19.55 48.68 Favored 'General case' 0 C--O 1.21 -1.001 0 C-N-CA 119.354 -0.938 . . . . 25.0 111.357 -174.252 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -60.29 -28.93 68.49 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.082 0.468 . . . . 25.0 111.102 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -108.19 -22.07 12.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.333 0.587 . . . . 25.0 111.804 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -96.93 14.04 26.8 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.614 0.721 . . . . 25.0 110.29 178.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.17 -21.85 59.97 Favored Glycine 0 C--O 1.22 -0.762 0 N-CA-C 115.412 0.925 . . . . 25.0 115.412 -171.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.65 4.65 50.8 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.831 0.824 . . . . 25.0 110.617 -172.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.28 -157.53 33.53 Favored Glycine 0 N--CA 1.418 -2.554 0 N-CA-C 104.259 -3.536 . . . . 25.0 104.259 172.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -152.36 168.25 26.06 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 122.23 -0.571 . . . . 25.0 109.513 -174.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.66 167.16 18.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.135 -0.938 . . . . 25.0 109.124 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -119.64 -174.33 2.72 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 105.595 -2.002 . . . . 25.0 105.595 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -52.79 -47.74 67.37 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.598 ' HB2' HG11 ' A' ' 83' ' ' VAL . 62.1 tt0 -53.94 -47.5 71.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.392 0.542 . . . . 25.0 110.99 -177.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -71.89 -44.5 63.64 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 121.834 0.826 . . . . 25.0 109.057 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.477 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -55.67 -40.39 72.22 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.129 -0.941 . . . . 25.0 110.188 -178.573 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -72.75 -38.11 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 122.28 -0.263 . . . . 25.0 111.194 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 76' ' ' VAL . 53.6 t -59.73 -43.32 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.155 0.502 . . . . 25.0 109.699 177.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.84 -35.91 75.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.091 0.472 . . . . 25.0 110.831 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.3 t -64.56 -43.04 96.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 175.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.61 79.88 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.904 -0.498 . . . . 25.0 111.098 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.66 98.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.367 0.603 . . . . 25.0 110.207 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.17 -35.64 76.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.207 0.527 . . . . 25.0 109.81 177.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.2 m -63.86 -43.79 95.04 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.873 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.487 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.6 m -70.45 -23.83 24.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 O-C-N 121.548 -0.72 . . . . 25.0 111.992 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.19 -4.22 4.82 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 121.598 0.713 . . . . 25.0 111.836 172.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -72.12 -13.91 61.69 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.781 1.632 . . . . 25.0 115.064 -172.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -42.43 -18.57 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 117.42 2.378 . . . . 25.0 117.42 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -41.49 -21.4 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 117.448 2.388 . . . . 25.0 117.448 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -57.93 -29.02 64.81 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.072 -1.017 . . . . 25.0 110.856 174.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -115.27 4.42 14.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.865 -0.607 . . . . 25.0 111.694 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -134.26 110.16 9.33 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -89.21 78.42 7.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.339 -1.726 . . . . 25.0 106.339 167.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 C--O 1.248 0.977 0 CA-C-O 116.179 -1.867 . . . . 25.0 107.149 179.621 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.536 0 CA-C-O 119.228 -0.762 . . . . 25.0 111.692 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.69 175.19 2.48 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.852 -0.795 . . . . 25.0 108.852 172.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.5 -40.27 93.97 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.443 0.639 . . . . 25.0 112.262 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.44 HD12 HG11 ' B' ' 14' ' ' VAL . 4.5 tt -66.69 -39.37 88.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 122.244 1.021 . . . . 25.0 108.818 177.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -70.08 -35.66 74.35 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 121.615 -0.678 . . . . 25.0 111.905 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.9 p -72.25 -31.26 65.64 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 176.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.86 83.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 174.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.8 mmm -71.71 -31.71 67.02 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.66 -27.54 65.12 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.586 -0.696 . . . . 25.0 109.208 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.6 m -62.89 -44.2 96.75 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.878 0.371 . . . . 25.0 110.002 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.37 -37.07 84.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.29 -47.74 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.6 -50.17 74.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.183 0.516 . . . . 25.0 111.526 -176.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.02 -34.87 66.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 115.867 -0.606 . . . . 25.0 111.763 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -62.1 -43.78 98.1 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.203 -0.935 . . . . 25.0 109.538 172.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -67.89 -14.45 62.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.73 82.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 120.811 -0.355 . . . . 25.0 110.779 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -96.24 -15.2 22.14 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.942 0.401 . . . . 25.0 111.88 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.2 p -63.57 154.87 31.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.474 0.654 . . . . 25.0 111.302 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.36 -4.66 67.18 Favored Glycine 0 CA--C 1.506 -0.502 0 C-N-CA 120.766 -0.731 . . . . 25.0 111.351 -176.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -58.97 -28.06 65.97 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 109.915 -0.402 . . . . 25.0 109.915 175.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -115.5 40.77 2.64 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.795 1.406 . . . . 25.0 114.795 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.37 -30.43 3.72 Favored Glycine 0 C--N 1.308 -1.024 0 N-CA-C 117.515 1.766 . . . . 25.0 117.515 171.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -108.19 129.39 55.19 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.358 -0.979 . . . . 25.0 108.358 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -75.82 -14.32 60.29 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 114.189 1.181 . . . . 25.0 114.189 -173.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -102.1 8.63 40.73 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -127.74 156.76 41.92 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.76 -0.655 . . . . 25.0 110.306 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.47 136.62 29.61 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 105.86 -1.904 . . . . 25.0 105.86 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.15 149.63 49.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.316 0.507 . . . . 25.0 110.18 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.89 -44.16 90.53 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.409 0.522 . . . . 25.0 112.409 -176.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -30.23 71.1 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.83 0.741 . . . . 25.0 110.459 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -76.85 -29.51 55.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.433 -0.803 . . . . 25.0 109.442 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.513 HD11 ' HD1' ' A' ' 74' ' ' TYR . 28.4 tp -68.58 -28.94 67.39 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.68 -0.637 . . . . 25.0 110.839 176.124 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.612 ' HB2' HD11 ' A' ' 61' ' ' LEU . 29.0 ttpt -59.17 -33.67 71.2 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.07 -0.652 . . . . 25.0 110.224 177.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.64 -48.99 72.81 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 177.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.46 -43.46 93.21 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 121.338 0.59 . . . . 25.0 109.605 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.61 -32.73 74.29 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 121.179 0.514 . . . . 25.0 111.811 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -81.69 -22.43 37.45 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.845 -0.534 . . . . 25.0 111.778 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.0 m -101.55 -51.08 3.55 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -174.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -88.29 -38.01 15.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.952 0.406 . . . . 25.0 111.022 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.505 HD13 HD22 ' B' ' 4' ' ' LEU . 14.7 tp -93.01 8.66 38.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.428 -0.953 . . . . 25.0 108.428 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -45.92 -41.15 11.13 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 115.62 1.711 . . . . 25.0 115.62 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.16 -27.83 73.58 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.025 -1.083 . . . . 25.0 112.344 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -75.83 -28.09 58.12 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.599 -0.942 . . . . 25.0 109.409 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.53 -37.03 63.17 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 118.398 0.545 . . . . 25.0 110.163 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.25 -32.02 73.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.789 0.804 . . . . 25.0 109.97 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.1 28.06 8.41 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.45 -0.795 . . . . 25.0 111.433 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -61.89 152.82 30.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -125.76 -48.22 1.65 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -83.82 90.09 7.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.258 0.552 . . . . 25.0 109.893 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.22 -25.76 36.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.725 -176.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -76.63 -45.14 31.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.049 -0.722 . . . . 25.0 109.049 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.61 -38.26 67.85 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.14 -40.89 89.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -80.22 -30.72 38.62 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.5 -175.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.78 -35.6 68.88 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.304 -0.407 . . . . 25.0 110.631 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.5 t -77.1 -41.89 31.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.488 0.661 . . . . 25.0 109.398 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 mmt -68.06 -51.75 43.08 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 112.577 0.584 . . . . 25.0 112.577 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -34.3 77.76 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.882 -0.327 . . . . 25.0 110.32 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.16 -43.77 97.35 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.928 -0.483 . . . . 25.0 110.278 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -78.28 -23.25 47.29 Favored 'General case' 0 C--O 1.21 -1.012 0 C-N-CA 119.139 -1.024 . . . . 25.0 110.835 -178.465 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.52 -28.14 63.22 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.408 0.522 . . . . 25.0 112.408 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -107.4 -20.56 13.23 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.514 0.673 . . . . 25.0 111.718 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -97.56 13.67 29.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.57 0.7 . . . . 25.0 109.682 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.93 -12.11 70.74 Favored Glycine 0 C--O 1.216 -0.974 0 N-CA-C 117.614 1.806 . . . . 25.0 117.614 -167.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -91.12 6.9 43.12 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 122.003 0.906 . . . . 25.0 111.068 -170.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.61 -159.67 33.83 Favored Glycine 0 N--CA 1.416 -2.634 0 N-CA-C 103.725 -3.75 . . . . 25.0 103.725 174.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -148.86 165.13 32.42 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 122.312 -0.522 . . . . 25.0 110.168 -174.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.91 168.94 17.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.571 -0.74 . . . . 25.0 109.638 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -117.0 -174.1 2.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.937 -1.505 . . . . 25.0 106.937 177.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -53.11 -47.71 68.42 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.472 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.7 tt0 -54.21 -46.11 72.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.36 0.527 . . . . 25.0 110.77 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -77.67 -35.32 52.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.906 0.86 . . . . 25.0 110.746 -173.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.513 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -60.59 -39.63 88.79 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.798 -0.816 . . . . 25.0 108.798 177.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 71.7 t -71.49 -36.17 59.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.686 -0.234 . . . . 25.0 110.522 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 72' ' ' GLN . 57.8 t -57.44 -45.38 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 109.13 -0.692 . . . . 25.0 109.13 177.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.0 mt -69.79 -38.51 76.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.86 0.362 . . . . 25.0 111.638 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.9 t -63.48 -43.84 98.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 177.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.94 77.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.774 -0.579 . . . . 25.0 111.056 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.15 90.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.281 0.562 . . . . 25.0 110.115 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.16 -34.42 68.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.344 0.592 . . . . 25.0 110.169 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.8 m -64.42 -41.0 96.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.462 -0.336 . . . . 25.0 111.5 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.574 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.9 m -69.12 -23.96 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.04 -1.038 . . . . 25.0 112.425 178.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.34 -4.84 6.01 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.621 0.724 . . . . 25.0 111.119 171.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -68.14 -15.44 63.59 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.699 -1.25 . . . . 25.0 112.696 -173.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.25 -22.87 54.09 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.543 -0.54 . . . . 25.0 109.543 176.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -54.98 -29.2 56.53 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 114.012 1.116 . . . . 25.0 114.012 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.444 ' HB3' ' CE2' ' B' ' 26' ' ' TYR . 31.6 m-85 -80.16 -0.06 34.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 120.928 -1.108 . . . . 25.0 111.454 -177.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -122.79 6.75 9.37 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.059 0.762 . . . . 25.0 113.059 -176.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.55 145.86 22.94 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.335 -1.357 . . . . 25.0 107.335 -179.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -93.88 77.98 4.18 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 176.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.244 0.81 0 CA-C-O 117.466 -1.254 . . . . 25.0 109.6 175.687 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.84 0 N-CA-C 111.9 -0.48 . . . . 25.0 111.9 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -105.55 177.3 4.89 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.014 -1.476 . . . . 25.0 107.014 176.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -60.39 -30.23 69.45 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 110.289 -0.263 . . . . 25.0 110.289 173.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.505 HD22 HD13 ' A' ' 41' ' ' LEU . 3.3 tt -66.68 -41.92 87.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.394 0.616 . . . . 25.0 109.77 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -66.23 -39.22 89.4 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.709 -0.396 . . . . 25.0 111.294 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.1 p -76.14 -29.1 57.68 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 110.125 -0.324 . . . . 25.0 110.125 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.96 90.21 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 173.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.4 mmm -70.51 -32.42 69.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.34 0.496 . . . . 25.0 112.34 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -29.89 69.02 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.697 -0.483 . . . . 25.0 109.697 178.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -62.93 -43.46 98.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.573 -0.528 . . . . 25.0 109.573 174.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.7 -38.7 88.82 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -64.19 -48.34 86.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 C-N-CA 120.313 -0.555 . . . . 25.0 109.826 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -57.89 -41.76 83.24 Favored 'General case' 0 CA--C 1.448 -2.956 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.44 HG11 HD12 ' A' ' 4' ' ' LEU . 58.5 t -68.31 -43.76 84.21 Favored 'Isoleucine or valine' 0 C--N 1.389 2.304 0 O-C-N 120.885 -1.135 . . . . 25.0 110.461 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -62.46 -43.05 99.76 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 122.04 0.924 . . . . 25.0 109.915 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -64.54 -22.67 67.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.11 -0.95 . . . . 25.0 112.436 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.56 -40.45 95.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.645 -0.422 . . . . 25.0 111.989 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -90.29 -23.48 21.17 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.159 -0.311 . . . . 25.0 110.159 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.6 m -56.8 137.25 55.02 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.106 -0.702 . . . . 25.0 109.106 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.72 -12.78 42.33 Favored Glycine 0 C--N 1.323 -0.194 0 C-N-CA 120.469 -0.872 . . . . 25.0 113.98 -176.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -57.85 -36.7 72.69 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.06 0.93 . . . . 25.0 108.821 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -104.57 41.53 1.31 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 115.474 1.657 . . . . 25.0 115.474 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.29 -30.84 2.68 Favored Glycine 0 C--N 1.307 -1.028 0 N-CA-C 118.619 2.208 . . . . 25.0 118.619 171.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -101.77 128.97 47.88 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 107.523 -1.288 . . . . 25.0 107.523 176.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -28.13 62.7 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.128 1.159 . . . . 25.0 114.128 -169.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 89' ' ' PHE . 10.5 m-30 -107.89 12.11 27.44 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.919 0.39 . . . . 25.0 110.508 -175.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -128.13 162.59 26.57 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.15 139.92 24.98 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.901 -0.778 . . . . 25.0 108.901 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.445 ' HB2' ' HD3' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -67.37 157.05 34.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.04 0.448 . . . . 25.0 111.895 178.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -66.34 -41.27 89.82 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.445 ' HD3' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -66.75 -29.5 69.49 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.224 0.92 . . . . 25.0 109.389 -176.706 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.98 -32.21 65.04 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.506 -1.225 . . . . 25.0 110.479 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 14.1 tp -64.66 -29.07 70.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 25.0 110.766 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.563 ' HB2' HD11 ' B' ' 61' ' ' LEU . 32.7 ttpt -64.22 -36.31 83.65 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.013 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.66 -45.38 83.17 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.42 -46.85 87.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.303 0.573 . . . . 25.0 110.212 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mp -65.53 -29.3 69.92 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 121.184 0.516 . . . . 25.0 111.359 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -81.8 -22.29 37.2 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 121.908 -0.495 . . . . 25.0 110.476 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 57.9 m -88.46 -50.54 6.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.712 -0.676 . . . . 25.0 111.472 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -93.66 -44.88 7.96 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.421 HD13 HD22 ' A' ' 4' ' ' LEU . 9.6 tp -84.83 9.08 15.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.561 0.696 . . . . 25.0 110.173 -177.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -36.56 15.21 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 115.342 1.608 . . . . 25.0 115.342 175.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.34 -35.41 60.14 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 120.424 -0.893 . . . . 25.0 111.476 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -72.65 -29.17 63.22 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.83 -0.806 . . . . 25.0 108.862 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mt -69.78 -39.06 76.87 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 110.013 -0.366 . . . . 25.0 110.013 176.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.05 -33.08 73.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.644 0.735 . . . . 25.0 110.939 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.84 26.18 5.35 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.808 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -63.45 157.73 22.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.354 -0.384 . . . . 25.0 110.657 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -134.32 -54.48 0.85 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.607 -0.27 . . . . 25.0 110.511 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -78.96 86.91 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -63.53 -28.83 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 25.0 111.029 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.95 -41.03 78.59 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 121.094 0.473 . . . . 25.0 109.791 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.48 -36.45 33.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.754 -175.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 p -66.88 -40.6 86.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -80.29 -29.29 38.21 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -56.38 -46.65 79.98 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-O 118.848 -0.596 . . . . 25.0 109.835 174.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.86 -40.76 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 119.087 0.858 . . . . 25.0 108.952 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.1 mmt -69.19 -48.65 61.54 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 115.726 -0.67 . . . . 25.0 112.483 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -37.14 84.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.507 0.194 . . . . 25.0 110.509 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.25 -41.92 97.73 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.5 OUTLIER -81.42 -24.45 36.89 Favored 'General case' 0 C--O 1.204 -1.331 0 C-N-CA 118.794 -1.162 . . . . 25.0 111.895 179.6 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.93 -29.86 65.48 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -102.48 -20.26 14.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.659 0.742 . . . . 25.0 110.799 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -96.83 12.81 30.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.44 -0.8 . . . . 25.0 108.933 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.11 -21.52 66.03 Favored Glycine 0 C--O 1.222 -0.615 0 N-CA-C 115.46 0.944 . . . . 25.0 115.46 -169.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.91 4.23 50.62 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.839 0.828 . . . . 25.0 110.207 -174.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.09 -154.93 30.41 Favored Glycine 0 N--CA 1.421 -2.322 0 N-CA-C 104.48 -3.448 . . . . 25.0 104.48 172.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -150.25 171.01 17.64 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 121.983 -0.716 . . . . 25.0 110.344 -174.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.99 168.59 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.559 -1.2 . . . . 25.0 108.569 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -125.37 -174.04 2.97 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 104.864 -2.272 . . . . 25.0 104.864 173.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -54.13 -49.03 70.12 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.606 0.965 . . . . 25.0 113.606 177.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.574 ' HB2' HG11 ' A' ' 83' ' ' VAL . 63.5 tt0 -55.27 -44.15 75.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.138 0.426 . . . . 25.0 111.026 -177.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.51 -49.02 67.93 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 122.341 1.067 . . . . 25.0 108.649 -175.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -38.83 83.23 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.565 -1.198 . . . . 25.0 111.117 -174.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -72.36 -36.26 54.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.75 -0.38 . . . . 25.0 110.857 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.45 HG22 HG22 ' A' ' 76' ' ' VAL . 53.8 t -61.8 -43.12 96.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 177.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.7 mt -68.53 -37.96 80.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.085 0.469 . . . . 25.0 110.686 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 10.3 t -62.55 -45.07 99.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.484 -0.561 . . . . 25.0 109.484 176.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.94 84.82 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.062 -0.399 . . . . 25.0 110.812 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.34 96.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.065 0.459 . . . . 25.0 110.409 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.44 -37.28 82.75 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 89.9 m -60.13 -46.8 88.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.196 -0.456 . . . . 25.0 110.981 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.451 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.8 m -71.55 -28.64 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 119.195 0.907 . . . . 25.0 111.965 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.18 -22.8 64.81 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.326 0.584 . . . . 25.0 110.845 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.434 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 76.5 m-20 -104.85 -11.54 16.7 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 127.801 2.44 . . . . 25.0 113.847 -174.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -41.82 -21.62 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 117.377 2.362 . . . . 25.0 117.377 -168.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -55.16 -16.15 2.87 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.645 0.778 . . . . 25.0 112.315 172.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -58.12 -29.85 65.83 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 122.818 0.447 . . . . 25.0 111.443 172.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -118.68 -6.63 10.63 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 116.697 2.11 . . . . 25.0 116.697 -171.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -160.5 157.55 27.72 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 105.479 -2.045 . . . . 25.0 105.479 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -71.76 101.35 2.56 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 123.572 0.749 . . . . 25.0 109.434 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 64.0 m . . . . . 0 C--O 1.244 0.802 0 CA-C-O 118.152 -0.928 . . . . 25.0 110.997 -178.804 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 107.487 -1.301 . . . . 25.0 107.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.82 -39.91 93.43 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.472 0.578 . . . . 25.0 110.111 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.448 HD22 HD13 ' B' ' 41' ' ' LEU . 6.2 tt -64.6 -43.84 92.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.802 0.811 . . . . 25.0 109.989 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.12 -33.36 73.34 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 121.536 -0.728 . . . . 25.0 112.053 -177.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 p -71.59 -28.33 63.74 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 118.445 0.566 . . . . 25.0 109.563 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.25 90.35 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.3 mmm -71.05 -32.33 69.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -71.53 -24.77 62.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.065 -0.717 . . . . 25.0 109.065 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.8 m -66.74 -42.25 86.52 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.112 -0.368 . . . . 25.0 110.243 170.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -33.1 72.06 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.2 mt -67.58 -46.63 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -57.87 -47.25 83.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.184 0.516 . . . . 25.0 110.291 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.436 HG11 HD12 ' B' ' 4' ' ' LEU . 89.0 t -64.66 -42.16 94.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.592 -0.731 . . . . 25.0 111.864 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.98 -43.82 98.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.484 -0.76 . . . . 25.0 109.635 176.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -71.32 -14.19 62.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.559 0.948 . . . . 25.0 113.559 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.15 67.67 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.129 -0.323 . . . . 25.0 110.129 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -109.7 -16.78 13.84 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.443 0.534 . . . . 25.0 112.443 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 N--CA 1.468 0.45 0 CA-C-O 121.556 0.693 . . . . 25.0 111.056 -177.26 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 109.163 -0.68 . . . . 25.0 109.163 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -132.85 158.96 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.479 -0.782 . . . . 25.0 109.395 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -143.24 134.1 25.39 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.16 147.75 52.91 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.757 -0.46 . . . . 25.0 109.757 178.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.57 -42.16 96.07 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -30.85 71.72 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.348 0.976 . . . . 25.0 110.051 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -77.09 -25.49 52.33 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.589 -0.732 . . . . 25.0 109.815 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 69' ' ' VAL . 15.4 tp -67.57 -36.45 80.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.788 -0.57 . . . . 25.0 110.565 175.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HB2' HD11 ' A' ' 61' ' ' LEU . 31.7 ttpt -58.82 -33.73 70.72 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.694 -0.402 . . . . 25.0 110.529 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -63.47 -48.31 78.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.679 -0.489 . . . . 25.0 109.679 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 tt -59.06 -46.71 87.57 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.71 -32.31 73.4 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.544 -0.753 . . . . 25.0 111.829 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.48 -22.52 38.0 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 122.024 -0.422 . . . . 25.0 111.326 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.5 m -92.25 -56.25 3.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.89 -0.596 . . . . 25.0 112.054 -176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -87.93 -38.36 15.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.447 HD13 HD22 ' B' ' 4' ' ' LEU . 9.9 tp -90.68 8.14 35.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.351 0.596 . . . . 25.0 110.195 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.19 -37.5 15.94 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 115.748 1.759 . . . . 25.0 115.748 176.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.12 64.67 Favored Glycine 0 C--O 1.225 -0.452 0 C-N-CA 120.543 -0.837 . . . . 25.0 111.219 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -74.48 -27.31 60.51 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.739 -0.859 . . . . 25.0 109.152 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.24 -40.29 74.55 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.35 -29.18 69.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.661 0.743 . . . . 25.0 110.651 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.34 17.55 19.85 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.797 -0.638 . . . . 25.0 111.259 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.31 148.36 37.14 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.575 0.703 . . . . 25.0 110.524 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -122.78 -46.19 2.13 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.335 -0.987 . . . . 25.0 108.335 176.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -86.33 85.98 7.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.569 -0.742 . . . . 25.0 109.359 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.68 -22.94 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.052 -0.976 . . . . 25.0 110.809 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -72.91 -51.05 20.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.213 0.53 . . . . 25.0 109.679 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.43 74.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -174.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.69 -40.91 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.36 -29.54 37.92 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.065 0.46 . . . . 25.0 110.726 -176.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -33.11 67.6 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.211 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.7 t -83.29 -42.98 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.7 mmt -66.47 -53.69 32.5 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 -175.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -35.31 80.01 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.715 -0.394 . . . . 25.0 110.562 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -62.35 -43.13 99.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.476 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.579 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -77.94 -23.86 48.4 Favored 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 119.168 -1.013 . . . . 25.0 110.189 -179.154 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.52 -25.13 67.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.843 0.354 . . . . 25.0 111.9 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -100.2 -25.95 14.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.617 0.722 . . . . 25.0 110.289 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -97.15 17.13 17.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.607 -0.724 . . . . 25.0 110.321 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.0 -20.72 67.12 Favored Glycine 0 C--O 1.219 -0.824 0 N-CA-C 115.3 0.88 . . . . 25.0 115.3 -169.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -89.03 6.02 41.65 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 122.063 0.935 . . . . 25.0 110.455 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.19 -155.32 30.96 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 104.857 -3.297 . . . . 25.0 104.857 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -153.44 168.98 24.3 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.949 -0.736 . . . . 25.0 109.892 -175.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.407 HG21 HD22 ' A' ' 33' ' ' LEU . 2.8 m -140.6 168.82 16.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.073 -0.967 . . . . 25.0 108.995 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -121.24 -174.34 2.82 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.095 -1.816 . . . . 25.0 106.095 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -53.97 -47.98 70.79 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 113.342 0.867 . . . . 25.0 113.342 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.516 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.6 tt0 -55.42 -45.39 76.75 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.935 -0.478 . . . . 25.0 110.831 -177.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -45.17 69.9 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.25 1.024 . . . . 25.0 109.101 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.8 -40.32 79.63 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.606 -1.179 . . . . 25.0 110.265 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.12 -36.85 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 122.26 -0.275 . . . . 25.0 111.011 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 72' ' ' GLN . 59.4 t -58.29 -45.84 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 177.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.3 mt -70.0 -37.94 75.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.963 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.1 t -62.09 -44.94 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.49 -36.96 85.43 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.103 -0.373 . . . . 25.0 110.861 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.45 95.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.162 0.506 . . . . 25.0 110.467 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.92 -36.21 79.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.315 0.578 . . . . 25.0 109.743 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.4 m -61.08 -44.92 96.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.169 -0.468 . . . . 25.0 111.083 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.453 HG11 ' HB2' ' B' ' 72' ' ' GLN . 29.4 m -71.78 -28.44 30.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 120.879 -1.138 . . . . 25.0 111.914 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.252 0.548 . . . . 25.0 110.862 175.062 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -63.24 -42.77 99.24 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.885 -0.509 . . . . 25.0 109.792 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.447 HD22 HD13 ' A' ' 41' ' ' LEU . 3.6 tt -65.64 -43.54 89.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.762 0.791 . . . . 25.0 109.941 177.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.49 -32.92 73.24 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.346 -0.846 . . . . 25.0 112.073 -175.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.9 p -73.4 -30.11 63.04 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.82 84.56 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 173.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.3 mmm -70.6 -32.35 69.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.534 0.938 . . . . 25.0 113.534 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.99 -25.69 62.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.67 -0.644 . . . . 25.0 109.326 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -65.03 -42.13 94.62 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 122.143 -0.348 . . . . 25.0 110.105 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.52 -32.89 73.9 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.452 -0.573 . . . . 25.0 109.452 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -68.35 -47.41 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.86 -49.64 76.98 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.25 0.548 . . . . 25.0 110.837 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 p -72.76 -29.81 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 115.843 -0.617 . . . . 25.0 112.517 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.34 -45.13 95.68 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.885 -1.135 . . . . 25.0 108.978 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -66.54 -19.82 65.87 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.472 -0.786 . . . . 25.0 112.119 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.84 -28.22 69.4 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.749 -0.594 . . . . 25.0 112.293 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -116.99 0.25 12.36 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.68 0.252 . . . . 25.0 111.68 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.437 ' HA ' HD13 ' B' ' 28' ' ' LEU . 59.6 p -75.19 170.98 14.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.024 0.75 . . . . 25.0 113.024 -174.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.35 0 N-CA-C 116.745 1.458 . . . . 25.0 116.745 173.63 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? . . . . . 0 C--O 1.232 0.172 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' B' ' 19' ' ' SER . 11.7 tp -151.58 138.93 19.4 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 106.453 -1.684 . . . . 25.0 106.453 176.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.15 148.03 51.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.999 0.818 . . . . 25.0 109.676 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -59.41 -43.56 92.99 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.539 1.311 . . . . 25.0 114.539 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -30.11 70.98 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.25 0.932 . . . . 25.0 110.263 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -77.92 -24.4 48.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.367 -0.833 . . . . 25.0 109.529 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.496 HD22 HG21 ' B' ' 69' ' ' VAL . 24.8 tp -69.2 -36.11 76.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.91 0.386 . . . . 25.0 110.416 177.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.484 ' HB2' HD11 ' B' ' 61' ' ' LEU . 30.4 ttpt -57.0 -34.31 68.01 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.458 -0.337 . . . . 25.0 110.945 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.56 -48.81 79.28 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.33 -45.6 90.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.658 0.742 . . . . 25.0 109.161 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.93 -30.12 70.65 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.762 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -81.85 -22.46 36.96 Favored 'General case' 0 C--N 1.316 -0.889 0 O-C-N 121.499 -0.751 . . . . 25.0 110.566 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.4 m -88.85 -56.4 3.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.772 -0.649 . . . . 25.0 111.184 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -92.53 -31.83 15.07 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.844 1.053 . . . . 25.0 113.844 -174.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.448 HD13 HD22 ' A' ' 4' ' ' LEU . 11.7 tp -95.13 9.57 39.11 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.998 -0.742 . . . . 25.0 108.998 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.3 t -48.36 -37.15 16.02 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.526 1.676 . . . . 25.0 115.526 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.61 -34.24 57.1 Favored Glycine 0 C--O 1.225 -0.438 0 C-N-CA 120.482 -0.866 . . . . 25.0 111.222 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -73.45 -29.45 62.55 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.78 -39.09 80.36 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.93 -30.06 69.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.463 0.649 . . . . 25.0 111.689 177.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.3 18.88 14.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.099 -0.501 . . . . 25.0 111.34 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -61.32 149.25 38.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.532 0.682 . . . . 25.0 110.959 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -127.35 -46.7 1.47 Allowed 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -83.76 85.85 7.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 176.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.49 -27.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.544 -0.753 . . . . 25.0 110.445 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.17 -40.14 74.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.311 0.577 . . . . 25.0 109.465 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.93 -36.83 41.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 25.0 112.217 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.4 p -64.98 -40.13 88.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -80.3 -27.74 38.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.94 -0.573 . . . . 25.0 111.231 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.67 -32.69 65.66 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.764 -0.458 . . . . 25.0 109.764 176.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.6 -45.7 18.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.539 -0.464 . . . . 25.0 110.391 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.6 mmt -67.54 -49.95 60.92 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -174.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -36.31 83.61 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.785 -0.366 . . . . 25.0 110.026 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.74 -43.03 94.66 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.972 -0.291 . . . . 25.0 110.832 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -76.31 -24.32 54.35 Favored 'General case' 0 C--O 1.201 -1.463 0 C-N-CA 119.343 -0.943 . . . . 25.0 109.157 -176.215 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.3 -22.4 66.94 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.863 -0.523 . . . . 25.0 112.225 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -103.55 -23.41 13.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.352 0.596 . . . . 25.0 110.91 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -97.68 13.38 30.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.622 0.725 . . . . 25.0 110.378 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.7 -17.34 69.0 Favored Glycine 0 C--O 1.219 -0.793 0 N-CA-C 116.491 1.357 . . . . 25.0 116.491 -167.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -89.71 3.0 54.11 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.593 0.711 . . . . 25.0 110.461 -172.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.43 -155.93 30.25 Favored Glycine 0 N--CA 1.419 -2.444 0 N-CA-C 104.989 -3.245 . . . . 25.0 104.989 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.63 166.44 31.22 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 122.237 -0.566 . . . . 25.0 110.131 -173.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.496 HG21 HD22 ' B' ' 33' ' ' LEU . 3.5 m -136.07 171.22 17.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.139 -0.937 . . . . 25.0 108.841 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -126.38 -174.0 3.01 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 105.162 -2.162 . . . . 25.0 105.162 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -53.16 -47.95 68.36 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.453 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.6 tt0 -55.17 -45.74 75.77 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.174 0.443 . . . . 25.0 111.272 -177.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -47.32 65.3 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 122.319 1.056 . . . . 25.0 108.589 -175.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -40.11 81.83 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.661 -1.154 . . . . 25.0 110.857 -176.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.37 -36.93 63.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 O-C-N 122.306 -0.246 . . . . 25.0 111.066 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.417 HG22 HG22 ' A' ' 76' ' ' VAL . 51.8 t -60.62 -43.58 95.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.609 -0.515 . . . . 25.0 109.609 177.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.5 mt -69.36 -37.56 77.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.99 0.424 . . . . 25.0 110.803 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.4 -43.86 98.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.07 81.8 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.072 -0.393 . . . . 25.0 111.308 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.9 97.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.13 0.49 . . . . 25.0 110.213 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -35.97 77.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.244 0.545 . . . . 25.0 109.665 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 82.2 m -59.71 -44.97 93.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.275 -0.421 . . . . 25.0 111.003 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.458 HG11 ' HB2' ' A' ' 72' ' ' GLN . 29.3 m -72.44 -30.31 34.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 120.89 -1.131 . . . . 25.0 111.958 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.325 0 CA-C-O 121.219 0.533 . . . . 25.0 111.328 176.053 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--O 1.239 0.528 0 N-CA-C 106.889 -1.523 . . . . 25.0 106.889 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.13 -35.83 81.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.23 0.538 . . . . 25.0 110.108 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.488 HD12 HG11 ' B' ' 14' ' ' VAL . 2.8 tt -64.73 -43.02 94.74 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 121.876 0.846 . . . . 25.0 109.604 177.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.86 -33.95 75.75 Favored 'General case' 0 C--N 1.314 -0.939 0 O-C-N 121.339 -0.85 . . . . 25.0 111.561 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 p -73.41 -27.15 61.29 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.377 -0.529 . . . . 25.0 110.041 174.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.31 94.58 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 175.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.9 mmm -70.76 -33.94 71.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.126 0.787 . . . . 25.0 113.126 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.78 -27.92 66.32 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.4 m -64.89 -42.71 94.57 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.182 -0.324 . . . . 25.0 110.454 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.58 -34.83 74.76 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -67.03 -46.54 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.564 -0.532 . . . . 25.0 109.564 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.42 -47.34 84.24 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.549 0.69 . . . . 25.0 110.82 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.45 HG11 HD12 ' B' ' 4' ' ' LEU . 78.5 t -63.69 -43.85 98.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.279 -0.873 . . . . 25.0 111.489 -178.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -60.8 -44.47 96.82 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.643 -0.661 . . . . 25.0 109.423 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -66.22 -18.47 65.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.583 -0.735 . . . . 25.0 112.909 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.46 -42.65 74.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.696 -0.628 . . . . 25.0 111.102 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -95.96 -15.84 22.08 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.725 0.639 . . . . 25.0 112.725 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -175.808 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -131.31 155.27 47.49 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.75 -0.659 . . . . 25.0 110.224 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 tp -145.31 134.07 22.29 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 1.9 m -66.73 146.55 54.34 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 118.725 0.693 . . . . 25.0 109.658 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.09 -51.95 66.03 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -174.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -31.37 66.09 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 176.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -79.0 -23.38 44.42 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.226 0.536 . . . . 25.0 110.601 -178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.447 HD22 HG21 ' A' ' 69' ' ' VAL . 24.6 tp -65.88 -31.06 71.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.56 0.695 . . . . 25.0 109.985 176.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HB2' HD11 ' A' ' 61' ' ' LEU . 34.0 ttpt -60.79 -31.52 70.88 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.806 -0.633 . . . . 25.0 110.394 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.87 -47.11 84.74 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.41 -45.75 93.0 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.04 -27.79 69.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.602 0.715 . . . . 25.0 111.223 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -81.86 -22.51 36.9 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 123.214 0.605 . . . . 25.0 111.487 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 m -100.31 -60.66 1.49 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -88.13 -18.18 29.37 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.9 tp -111.95 9.82 20.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.741 -0.663 . . . . 25.0 109.337 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.24 -38.02 38.51 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 115.178 1.547 . . . . 25.0 115.178 177.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.18 -29.27 72.16 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 120.882 -0.675 . . . . 25.0 112.083 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -79.78 -28.35 40.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.684 -0.892 . . . . 25.0 108.914 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.15 -39.81 82.54 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.07 -31.65 69.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.538 0.685 . . . . 25.0 111.519 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.15 18.76 7.67 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 116.355 -0.384 . . . . 25.0 110.312 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -61.53 156.22 20.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.031 0.443 . . . . 25.0 110.076 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -138.26 -45.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -80.89 88.84 5.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.126 -0.943 . . . . 25.0 108.558 175.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -67.25 -25.41 33.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.466 -176.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.55 -43.77 46.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.292 -0.633 . . . . 25.0 109.292 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.66 -38.21 62.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.37 -39.7 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -80.36 -28.95 37.91 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 116.093 -0.503 . . . . 25.0 111.352 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -36.25 69.46 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.92 -43.92 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.636 0.731 . . . . 25.0 109.455 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.9 mmt -67.99 -51.39 47.86 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.749 -0.66 . . . . 25.0 112.267 -175.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -37.53 87.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.127 -0.323 . . . . 25.0 110.127 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -60.78 -42.91 98.45 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.761 -0.376 . . . . 25.0 110.491 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -78.85 -24.01 44.62 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 118.749 -1.18 . . . . 25.0 110.457 -178.53 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.9 -25.27 65.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.937 0.399 . . . . 25.0 110.877 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -93.58 -26.95 16.89 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.789 0.804 . . . . 25.0 109.014 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -95.39 17.85 13.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.17 -0.923 . . . . 25.0 109.049 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.63 29.1 1.77 Allowed Glycine 0 C--O 1.214 -1.108 0 CA-C-N 115.782 -0.644 . . . . 25.0 114.432 -173.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -116.01 -16.24 11.09 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 112.746 0.647 . . . . 25.0 112.746 168.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.79 -150.45 21.79 Favored Glycine 0 N--CA 1.441 -0.97 0 N-CA-C 110.566 -1.014 . . . . 25.0 110.566 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.441 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -149.31 168.21 23.95 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.926 -0.637 . . . . 25.0 110.836 -171.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.447 HG21 HD22 ' A' ' 33' ' ' LEU . 3.4 m -136.85 171.09 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.437 -0.802 . . . . 25.0 109.147 177.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -126.62 -174.14 3.05 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 105.248 -2.13 . . . . 25.0 105.248 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -53.29 -48.62 68.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.696 0.999 . . . . 25.0 113.696 176.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.2 tt0 -56.37 -45.3 80.56 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.582 0.628 . . . . 25.0 110.997 -177.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.25 -45.13 74.02 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 122.351 1.072 . . . . 25.0 108.845 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -39.67 84.76 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.803 -1.09 . . . . 25.0 110.61 -177.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.2 t -71.51 -36.18 59.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 122.231 -0.293 . . . . 25.0 110.654 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 72' ' ' GLN . 72.5 t -58.4 -46.14 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.391 0.615 . . . . 25.0 109.507 176.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.32 -35.91 71.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.036 -0.529 . . . . 25.0 111.138 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 t -63.67 -43.74 98.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.454 -0.572 . . . . 25.0 109.454 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.22 -37.63 87.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.174 -0.329 . . . . 25.0 110.139 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.69 98.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 25.0 110.76 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.97 -35.13 74.21 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.366 0.603 . . . . 25.0 110.065 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -61.69 -45.7 92.88 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 122.117 -0.364 . . . . 25.0 111.211 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.9 m -68.55 -22.47 27.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.946 0 N-CA-C 113.223 0.823 . . . . 25.0 113.223 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.001 0 CA-C-N 119.382 0.992 . . . . 25.0 112.716 174.863 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.6 -40.65 88.21 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.207 0.527 . . . . 25.0 111.63 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.45 HD12 HG11 ' A' ' 14' ' ' VAL . 2.2 tt -65.81 -41.69 91.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.898 0.856 . . . . 25.0 109.965 177.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -65.3 -36.33 83.75 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.623 -0.673 . . . . 25.0 110.924 -176.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.6 p -72.59 -28.7 62.95 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.405 -0.518 . . . . 25.0 110.694 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.69 -44.97 92.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.893 -1.151 . . . . 25.0 107.893 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -71.6 -32.84 68.47 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -68.39 -28.52 67.18 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.39 -0.819 . . . . 25.0 108.91 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.1 m -63.59 -44.43 94.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.777 0.322 . . . . 25.0 110.39 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.85 -35.79 77.47 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.6 -46.91 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 109.454 -0.573 . . . . 25.0 109.454 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -58.93 -44.69 91.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 25.0 111.417 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.488 HG11 HD12 ' A' ' 4' ' ' LEU . 80.7 t -66.84 -43.4 89.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.726 -0.67 . . . . 25.0 110.981 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.88 -44.83 96.55 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -66.46 -18.91 65.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.19 -47.28 74.44 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 122.025 -0.422 . . . . 25.0 110.95 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -92.91 -16.86 24.7 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 90.1 p -62.0 165.6 5.39 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.327 0 C-N-CA 120.452 -0.88 . . . . 25.0 114.425 177.457 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm . . . . . 0 CA--C 1.513 -0.476 0 CA-C-O 121.195 0.521 . . . . 25.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -141.12 131.56 25.27 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 106.01 -1.848 . . . . 25.0 106.01 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 5.0 m -65.51 145.25 56.34 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.244 -0.582 . . . . 25.0 110.22 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -54.69 -51.12 66.54 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.025 0.75 . . . . 25.0 113.025 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.44 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -58.96 -31.28 68.59 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 176.73 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -78.38 -23.53 46.77 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 121.398 0.618 . . . . 25.0 110.196 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.22 -31.73 73.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.862 -0.524 . . . . 25.0 110.134 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.566 ' HB2' HD11 ' B' ' 61' ' ' LEU . 34.6 ttpt -60.58 -33.06 72.16 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.48 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.5 -47.86 74.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.031 -0.729 . . . . 25.0 109.031 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.1 -46.21 90.35 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.1 mt -62.7 -30.24 71.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.024 -0.535 . . . . 25.0 111.624 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -81.91 -22.37 36.83 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 122.807 0.443 . . . . 25.0 111.488 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 36.7 m -94.53 -52.28 4.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.771 -0.649 . . . . 25.0 112.3 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -94.39 -25.85 16.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -174.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 tp -104.72 12.03 33.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -40.54 30.85 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.59 1.7 . . . . 25.0 115.59 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.63 -34.57 62.95 Favored Glycine 0 C--O 1.229 -0.181 0 C-N-CA 120.426 -0.892 . . . . 25.0 110.896 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -70.82 -31.07 67.68 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.716 -0.873 . . . . 25.0 109.387 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 mt -68.72 -39.77 80.25 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 110.032 -0.358 . . . . 25.0 110.032 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.33 -36.04 81.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.651 0.738 . . . . 25.0 111.287 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.19 28.64 3.52 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.302 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -64.67 159.55 21.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.755 -0.461 . . . . 25.0 109.755 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -132.6 -47.94 0.89 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.543 -0.54 . . . . 25.0 109.543 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -84.84 92.26 8.21 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.524 -0.547 . . . . 25.0 109.524 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -67.1 -22.16 28.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.493 -0.776 . . . . 25.0 112.363 -176.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -79.07 -50.0 11.76 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.725 . . . . 25.0 109.044 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.19 85.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.682 -0.235 . . . . 25.0 111.502 -175.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -63.74 -41.76 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.64 -31.31 36.53 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 120.956 0.407 . . . . 25.0 111.131 -174.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -57.9 -42.1 84.0 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 116.372 -0.377 . . . . 25.0 110.351 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 82.9 t -66.41 -40.95 87.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 -177.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.0 mmt -67.9 -49.04 64.24 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 115.817 -0.628 . . . . 25.0 112.187 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -37.97 87.94 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 121.087 -0.245 . . . . 25.0 110.561 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -61.66 -41.15 97.14 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.149 -0.315 . . . . 25.0 110.149 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -78.73 -23.45 45.45 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 118.927 -1.109 . . . . 25.0 110.584 -179.447 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.68 -25.53 66.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.894 0.378 . . . . 25.0 110.993 -176.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -97.38 -24.64 15.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.66 0.743 . . . . 25.0 109.683 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -95.55 17.94 13.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.435 -0.802 . . . . 25.0 108.854 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.26 36.26 1.75 Allowed Glycine 0 C--O 1.22 -0.78 0 CA-C-N 115.991 -0.55 . . . . 25.0 114.116 -174.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -115.85 -29.93 6.24 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 122.647 -0.325 . . . . 25.0 111.285 175.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.53 -150.35 13.71 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-O 122.385 0.992 . . . . 25.0 112.007 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.544 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -146.67 165.09 30.61 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.177 -1.012 . . . . 25.0 110.149 -171.752 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.34 168.45 24.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.93 -174.13 2.7 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -52.76 -47.53 67.4 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.512 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.4 tt0 -55.0 -47.3 74.84 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.938 -0.476 . . . . 25.0 111.34 -177.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.07 -44.8 71.82 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.972 0.892 . . . . 25.0 109.124 -174.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -40.16 84.17 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.14 -0.936 . . . . 25.0 111.202 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.94 -36.23 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.275 -0.265 . . . . 25.0 110.673 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.457 HG22 HG22 ' A' ' 76' ' ' VAL . 53.1 t -60.81 -43.52 95.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.51 -35.93 73.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.052 0.454 . . . . 25.0 110.792 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.4 t -63.03 -43.53 99.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.279 -0.638 . . . . 25.0 109.279 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.67 83.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.065 -0.397 . . . . 25.0 110.759 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.46 97.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.126 0.488 . . . . 25.0 110.312 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.08 -34.26 72.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.378 0.609 . . . . 25.0 109.921 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 54.6 m -63.88 -43.62 95.5 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.056 -0.403 . . . . 25.0 111.056 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 72' ' ' GLN . 34.0 m -71.25 -23.54 23.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 O-C-N 121.514 -0.741 . . . . 25.0 111.844 177.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.875 0 O-C-N 121.362 -0.836 . . . . 25.0 111.094 171.291 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.54 -44.07 96.51 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.384 0.538 . . . . 25.0 110.911 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.535 HD22 HD13 ' B' ' 41' ' ' LEU . 5.5 tt -65.0 -40.83 95.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.727 0.775 . . . . 25.0 109.853 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.58 -34.55 74.31 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.566 -0.708 . . . . 25.0 111.947 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 p -71.86 -28.46 63.56 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 118.629 0.65 . . . . 25.0 109.507 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.04 87.18 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.464 -1.31 . . . . 25.0 107.464 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.1 mmm -71.33 -32.97 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.648 0.981 . . . . 25.0 113.648 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -69.89 -26.62 64.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 m -65.04 -43.5 92.15 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.61 -0.268 . . . . 25.0 110.59 171.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.27 -35.89 74.54 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.122 -0.696 . . . . 25.0 109.122 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.4 mt -65.6 -47.1 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -58.7 -45.93 88.43 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.47 0.652 . . . . 25.0 111.113 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.417 HG11 HD12 ' B' ' 4' ' ' LEU . 72.4 t -64.49 -44.2 96.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.367 -0.833 . . . . 25.0 111.326 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.96 -42.99 99.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.444 0.64 . . . . 25.0 109.496 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -64.86 -19.43 65.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.499 -0.773 . . . . 25.0 112.624 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -49.85 68.59 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -91.88 -18.24 24.07 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.9 p . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 113.556 0.947 . . . . 25.0 113.556 -175.565 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -128.43 145.02 51.22 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.325 -0.398 . . . . 25.0 112.045 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -141.31 136.0 31.13 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.14 145.31 53.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 118.201 0.455 . . . . 25.0 110.353 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -58.09 -44.99 87.9 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.524 0.935 . . . . 25.0 113.524 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -23.01 65.97 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.404 -0.81 . . . . 25.0 110.255 -178.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -86.26 -24.64 25.9 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 121.821 0.82 . . . . 25.0 109.225 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.466 HD22 HG21 ' A' ' 69' ' ' VAL . 15.0 tp -66.24 -37.91 86.63 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.494 -0.754 . . . . 25.0 109.688 170.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.54 ' HB2' HD11 ' A' ' 61' ' ' LEU . 31.4 ttpt -56.91 -34.28 67.78 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 122.074 -0.391 . . . . 25.0 110.902 177.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -63.43 -49.0 75.45 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.588 -0.523 . . . . 25.0 109.588 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.89 -45.22 90.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.449 0.642 . . . . 25.0 109.563 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.71 -31.33 72.47 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.848 -0.615 . . . . 25.0 111.712 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -81.75 -22.39 37.28 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 122.935 0.494 . . . . 25.0 110.693 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.7 m -91.79 -50.59 5.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.782 -0.645 . . . . 25.0 112.315 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -91.18 -45.05 8.87 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.086 0.47 . . . . 25.0 112.159 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.417 HD13 HD22 ' B' ' 4' ' ' LEU . 9.7 tp -85.01 9.75 13.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.649 0.738 . . . . 25.0 109.564 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -39.52 18.66 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 115.46 1.652 . . . . 25.0 115.46 174.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.99 -35.57 64.72 Favored Glycine 0 N--CA 1.458 0.135 0 C-N-CA 120.267 -0.968 . . . . 25.0 111.061 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -69.53 -32.89 72.0 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -69.88 -40.67 75.54 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 120.551 0.215 . . . . 25.0 111.196 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.54 -35.97 82.43 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.741 0.781 . . . . 25.0 110.74 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.1 29.95 4.02 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.689 -0.687 . . . . 25.0 110.218 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -62.59 152.49 34.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -129.53 -53.33 1.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.803 0.335 . . . . 25.0 110.645 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.95 84.51 6.92 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.699 -1.223 . . . . 25.0 107.699 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.3 m -64.09 -28.71 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.685 -0.689 . . . . 25.0 112.415 -173.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.76 -38.7 83.8 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.98 -39.03 43.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.981 -0.554 . . . . 25.0 112.234 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.94 -39.62 86.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -80.37 -29.83 37.89 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.21 -0.45 . . . . 25.0 111.316 -176.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.25 -36.16 70.6 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 121.056 -0.258 . . . . 25.0 110.359 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -77.52 -42.7 30.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.434 0.635 . . . . 25.0 109.499 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.1 mmt -68.1 -51.36 47.25 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 112.721 0.637 . . . . 25.0 112.721 -175.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -35.62 80.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.745 -0.382 . . . . 25.0 110.207 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.74 -42.69 99.79 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.656 -0.418 . . . . 25.0 110.676 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.67 -23.64 45.56 Favored 'General case' 0 C--O 1.204 -1.341 0 C-N-CA 118.913 -1.115 . . . . 25.0 110.357 -179.598 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.34 -26.13 67.6 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 122.005 -0.434 . . . . 25.0 112.142 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -102.16 -23.23 14.07 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.549 0.69 . . . . 25.0 110.673 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -96.52 14.15 25.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.806 0.812 . . . . 25.0 109.224 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.71 -19.84 67.63 Favored Glycine 0 C--O 1.218 -0.878 0 N-CA-C 116.705 1.442 . . . . 25.0 116.705 -167.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -89.94 1.76 55.87 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.388 0.614 . . . . 25.0 110.552 -172.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.67 -152.83 24.22 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 104.831 -3.308 . . . . 25.0 104.831 173.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.05 170.98 19.11 Favored 'General case' 0 C--N 1.311 -1.07 0 O-C-N 121.945 -0.738 . . . . 25.0 110.647 -172.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.466 HG21 HD22 ' A' ' 33' ' ' LEU . 2.8 m -139.61 168.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.198 -0.91 . . . . 25.0 109.456 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -122.77 -174.36 2.91 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.936 -1.876 . . . . 25.0 105.936 174.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -54.75 -48.89 72.02 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.664 0.987 . . . . 25.0 113.664 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.518 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.0 tt0 -55.18 -44.03 74.88 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.352 0.524 . . . . 25.0 110.575 -177.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -47.66 67.4 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 122.245 1.021 . . . . 25.0 108.757 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -39.33 79.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.641 -1.163 . . . . 25.0 111.125 -175.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.84 -36.39 58.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 121.077 -0.249 . . . . 25.0 110.966 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.489 HG22 HG22 ' B' ' 76' ' ' VAL . 57.0 t -61.73 -43.17 96.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.551 -0.536 . . . . 25.0 109.551 177.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.1 mt -68.66 -37.31 79.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.167 0.508 . . . . 25.0 110.632 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 t -62.82 -44.71 99.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 116.133 -0.485 . . . . 25.0 109.749 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.23 82.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.027 -0.42 . . . . 25.0 111.239 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.24 97.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.341 0.591 . . . . 25.0 110.324 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -35.51 75.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.43 0.633 . . . . 25.0 110.019 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.7 m -64.08 -41.08 97.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.196 -0.456 . . . . 25.0 111.881 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.487 HG11 ' HB2' ' B' ' 72' ' ' GLN . 31.6 m -71.51 -24.22 23.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 121.09 -1.006 . . . . 25.0 112.097 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.681 0 CA-C-O 122.088 0.947 . . . . 25.0 111.464 171.763 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.1 -43.68 95.37 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.551 0.614 . . . . 25.0 111.281 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.417 HD12 HG11 ' A' ' 14' ' ' VAL . 3.7 tt -65.16 -40.4 94.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.943 0.878 . . . . 25.0 109.327 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -68.05 -36.22 79.53 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 121.682 -0.636 . . . . 25.0 111.508 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.0 p -72.17 -28.76 63.43 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.432 -0.507 . . . . 25.0 109.701 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.6 -47.88 81.86 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.463 -1.31 . . . . 25.0 107.463 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.58 -32.95 70.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.907 1.077 . . . . 25.0 113.907 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.79 -27.66 66.07 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -64.91 -43.26 93.41 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.234 -0.292 . . . . 25.0 110.598 171.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.44 -37.03 82.07 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.927 -0.768 . . . . 25.0 108.927 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.03 -47.46 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.34 -51.74 68.17 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.283 0.563 . . . . 25.0 111.188 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.7 p -67.94 -37.24 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 115.664 -0.698 . . . . 25.0 112.027 -175.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.412 ' HB2' ' CE2' ' B' ' 74' ' ' TYR . 72.4 t80 -62.34 -47.19 85.33 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.099 -1.001 . . . . 25.0 110.219 173.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -60.4 -28.02 67.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.512 -0.767 . . . . 25.0 112.32 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.66 95.9 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.735 0.642 . . . . 25.0 112.735 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -93.25 -20.86 20.01 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.767 0.317 . . . . 25.0 111.292 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -65.34 158.3 26.84 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.073 0.768 . . . . 25.0 113.073 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.579 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.16 178.67 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 121.314 0.578 . . . . 25.0 110.25 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -140.85 135.64 31.57 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 108.075 -1.083 . . . . 25.0 108.075 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.96 150.21 49.01 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.174 -0.61 . . . . 25.0 109.595 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -60.81 -43.52 98.07 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.542 0.941 . . . . 25.0 113.542 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -29.13 69.95 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.512 -0.743 . . . . 25.0 110.599 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -77.08 -24.68 51.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.405 -0.816 . . . . 25.0 108.878 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 tp -71.63 -36.85 70.88 Favored 'General case' 0 CA--C 1.513 -0.461 0 O-C-N 121.879 -0.513 . . . . 25.0 110.285 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.607 ' HB2' HD11 ' B' ' 61' ' ' LEU . 30.9 ttpt -56.2 -33.68 65.55 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 120.767 -0.373 . . . . 25.0 110.902 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.66 -50.21 72.09 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.864 -0.421 . . . . 25.0 109.864 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.31 -45.02 92.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.784 0.802 . . . . 25.0 109.227 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.41 -32.04 73.37 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.339 -0.846 . . . . 25.0 111.592 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -81.68 -22.76 37.25 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 121.893 -0.504 . . . . 25.0 110.832 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.3 m -89.34 -50.44 6.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.765 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -95.43 -42.02 8.69 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 112.962 0.727 . . . . 25.0 112.962 -176.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.535 HD13 HD22 ' A' ' 4' ' ' LEU . 10.5 tp -85.65 9.17 16.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.715 0.769 . . . . 25.0 109.512 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.03 -36.35 17.78 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 115.144 1.535 . . . . 25.0 115.144 173.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.87 -39.33 75.71 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 110.875 -0.89 . . . . 25.0 110.875 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -70.45 -25.46 63.2 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.996 -0.708 . . . . 25.0 109.201 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -74.2 -39.87 62.86 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 122.149 -0.344 . . . . 25.0 110.35 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.02 -35.55 76.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.639 0.733 . . . . 25.0 110.945 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.82 28.32 3.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.806 -0.633 . . . . 25.0 110.305 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -62.94 152.24 37.14 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.372 0.606 . . . . 25.0 110.37 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -131.77 -48.58 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 25.0 109.604 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -83.53 85.91 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.448 -1.315 . . . . 25.0 107.448 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.69 -24.65 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.828 -0.623 . . . . 25.0 111.784 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.65 -52.47 21.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.439 0.638 . . . . 25.0 109.52 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.06 -37.69 78.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.821 -0.627 . . . . 25.0 111.98 -172.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.29 -41.89 89.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.46 -31.91 37.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 121.289 0.566 . . . . 25.0 110.304 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -59.6 -43.16 93.79 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 116.178 -0.465 . . . . 25.0 110.809 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.47 -39.13 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.12 -49.52 60.56 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 115.647 -0.706 . . . . 25.0 112.221 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -36.75 84.41 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 121.132 -0.227 . . . . 25.0 110.638 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.95 -41.8 98.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.808 -0.441 . . . . 25.0 109.808 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.607 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.3 OUTLIER -80.9 -23.33 39.05 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 118.792 -1.163 . . . . 25.0 111.539 179.485 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.9 -28.36 66.11 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.386 0.513 . . . . 25.0 112.386 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -104.2 -20.82 13.67 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.543 0.687 . . . . 25.0 111.169 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -96.43 13.88 26.36 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.682 -0.858 . . . . 25.0 108.682 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.86 -20.87 68.95 Favored Glycine 0 C--O 1.218 -0.897 0 N-CA-C 115.773 1.069 . . . . 25.0 115.773 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.17 2.72 51.52 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.432 0.634 . . . . 25.0 110.164 -172.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.01 -153.25 27.11 Favored Glycine 0 N--CA 1.424 -2.135 0 N-CA-C 105.067 -3.213 . . . . 25.0 105.067 172.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.73 169.59 22.96 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 121.72 -0.871 . . . . 25.0 110.815 -171.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.85 166.38 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 CA-C-N 115.224 -0.898 . . . . 25.0 109.953 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -119.97 -174.31 2.74 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 105.591 -2.004 . . . . 25.0 105.591 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -55.3 -46.9 76.24 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.514 ' O ' HG23 ' B' ' 76' ' ' VAL . 64.5 tt0 -55.73 -44.79 77.88 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.286 0.494 . . . . 25.0 110.899 -178.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -43.71 72.59 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 122.409 1.1 . . . . 25.0 109.113 -174.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.412 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 0.2 OUTLIER -59.92 -39.0 83.99 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 114.744 -1.117 . . . . 25.0 110.004 -177.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.4 t -72.04 -36.12 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 121.173 -0.211 . . . . 25.0 110.862 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 72' ' ' GLN . 73.2 t -58.06 -45.59 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 177.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.7 mt -69.33 -38.39 78.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.215 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.6 -44.75 99.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.44 82.95 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.992 -0.443 . . . . 25.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.24 97.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.39 0.614 . . . . 25.0 110.391 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.44 -34.31 74.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.387 0.613 . . . . 25.0 109.642 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.4 m -64.05 -43.07 96.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.33 -0.395 . . . . 25.0 111.342 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.6 m -72.27 -23.92 21.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 O-C-N 121.134 -0.979 . . . . 25.0 112.226 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.613 0 CA-C-O 122.231 1.015 . . . . 25.0 111.15 171.29 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.191 0 N-CA-C 107.197 -1.409 . . . . 25.0 107.197 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.34 -30.36 71.11 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.446 -0.501 . . . . 25.0 111.02 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.552 HD12 HG11 ' B' ' 14' ' ' VAL . 2.6 tt -64.54 -41.11 96.56 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 122.46 1.124 . . . . 25.0 109.745 177.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -71.07 -36.42 72.26 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.749 -0.659 . . . . 25.0 110.551 -174.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.6 p -74.07 -26.53 60.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 173.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.47 92.78 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 107.856 -1.164 . . . . 25.0 107.856 175.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.5 mmm -70.76 -32.76 70.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.651 0.611 . . . . 25.0 112.651 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.7 -29.6 68.9 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.4 m -64.46 -43.14 95.17 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 174.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.54 -37.81 82.42 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.83 -48.63 85.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.517 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -57.51 -46.95 83.18 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.598 0.714 . . . . 25.0 110.827 -177.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.545 HG11 HD12 ' B' ' 4' ' ' LEU . 71.9 t -61.87 -46.07 97.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.67 -0.696 . . . . 25.0 111.378 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.42 -45.96 92.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.152 0.501 . . . . 25.0 109.731 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -62.7 -27.63 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 124.006 0.922 . . . . 25.0 112.882 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.39 82.55 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -87.53 -21.44 25.44 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.37 0.605 . . . . 25.0 110.115 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.943 -0.571 . . . . 25.0 110.103 179.319 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 111.993 0.368 . . . . 25.0 111.993 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.91 149.04 52.28 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.967 -0.382 . . . . 25.0 109.967 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 tp -140.16 138.72 35.41 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.53 151.38 46.55 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.849 -0.341 . . . . 25.0 111.472 179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -62.22 -43.96 97.66 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 113.253 0.835 . . . . 25.0 113.253 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -29.08 70.14 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.211 0.914 . . . . 25.0 110.8 -178.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -75.32 -30.4 60.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.217 -0.902 . . . . 25.0 109.099 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.48 HD22 HG21 ' A' ' 69' ' ' VAL . 14.8 tp -65.27 -29.62 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.285 -0.416 . . . . 25.0 111.409 176.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.676 ' HB2' HD11 ' A' ' 61' ' ' LEU . 29.4 ttpt -62.24 -34.76 77.13 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.162 -0.615 . . . . 25.0 109.983 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.34 -46.72 82.23 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.49 -46.94 87.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.398 0.618 . . . . 25.0 109.791 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.96 -29.51 70.67 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.665 0.745 . . . . 25.0 111.948 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -81.69 -22.38 37.47 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.539 0.736 . . . . 25.0 111.893 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.8 m -101.4 -58.77 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.467 0.914 . . . . 25.0 113.467 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -82.71 -33.06 27.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.685 -0.634 . . . . 25.0 111.398 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.41 HD13 HD22 ' B' ' 4' ' ' LEU . 12.1 tp -97.51 9.91 41.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.473 0.654 . . . . 25.0 109.779 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.4 -36.36 21.82 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.381 1.993 . . . . 25.0 116.381 176.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.35 -38.79 62.46 Favored Glycine 0 N--CA 1.459 0.195 0 C-N-CA 120.238 -0.982 . . . . 25.0 110.807 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -69.49 -31.0 69.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.3 tp -69.75 -44.45 70.19 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 123.779 0.674 . . . . 25.0 110.479 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.3 -32.71 74.5 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.569 -0.742 . . . . 25.0 111.346 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.44 30.39 3.23 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 116.151 -0.477 . . . . 25.0 109.833 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.3 156.57 33.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -136.87 -47.25 0.6 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.15 0.5 . . . . 25.0 110.636 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -85.91 80.14 8.99 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.19 -23.55 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.682 -1.145 . . . . 25.0 113.863 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.77 -37.34 73.35 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.707 -0.621 . . . . 25.0 109.663 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.79 -37.64 55.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.905 -0.589 . . . . 25.0 112.235 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -66.38 -37.2 79.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.784 0.802 . . . . 25.0 109.143 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.4 -23.59 40.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 25.0 110.964 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -23.19 64.07 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.854 -0.612 . . . . 25.0 111.207 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.444 HG13 HD22 ' A' ' 77' ' ' LEU . 84.4 t -93.16 -48.86 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.476 -0.49 . . . . 25.0 110.877 173.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.1 mmt -65.73 -53.17 44.36 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 113.694 0.998 . . . . 25.0 113.694 -171.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -33.56 74.5 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.08 -46.02 90.96 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.463 -0.495 . . . . 25.0 110.103 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -79.12 -20.02 49.69 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 119.178 -1.009 . . . . 25.0 111.067 -176.786 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -57.39 -29.93 64.48 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 111.914 0.338 . . . . 25.0 111.914 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -107.66 -20.85 13.09 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.256 0.551 . . . . 25.0 111.69 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -96.5 16.85 17.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.978 0.894 . . . . 25.0 109.802 177.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.16 -18.89 67.6 Favored Glycine 0 C--O 1.218 -0.863 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 -171.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -89.06 8.19 31.08 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.974 0.892 . . . . 25.0 110.167 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.32 -158.12 34.18 Favored Glycine 0 N--CA 1.415 -2.737 0 N-CA-C 104.368 -3.493 . . . . 25.0 104.368 171.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -151.59 169.51 21.94 Favored 'General case' 0 C--N 1.309 -1.158 0 O-C-N 122.11 -0.641 . . . . 25.0 109.954 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.48 HG21 HD22 ' A' ' 33' ' ' LEU . 2.9 m -141.03 167.82 16.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 123.922 0.764 . . . . 25.0 110.338 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -123.8 -174.14 2.91 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.28 -48.17 71.54 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.541 ' HB2' HG11 ' B' ' 83' ' ' VAL . 64.1 tt0 -56.49 -44.65 80.89 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.684 0.674 . . . . 25.0 110.55 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -48.31 69.56 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 122.329 1.061 . . . . 25.0 108.827 -175.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -40.33 86.13 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.634 -1.166 . . . . 25.0 110.773 -176.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 83.0 t -71.39 -37.33 64.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 122.166 -0.334 . . . . 25.0 111.116 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.3 t -58.3 -44.95 89.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 177.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.444 HD22 HG13 ' A' ' 57' ' ' VAL . 32.0 mt -70.27 -36.78 74.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.85 0.357 . . . . 25.0 111.436 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.8 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 176.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.75 -36.03 81.48 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.817 -0.552 . . . . 25.0 110.519 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.64 94.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.222 0.534 . . . . 25.0 110.336 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.04 -34.78 75.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.347 0.594 . . . . 25.0 109.83 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.4 m -64.47 -43.78 93.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.211 -0.45 . . . . 25.0 111.046 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.467 HG11 ' HB2' ' B' ' 72' ' ' GLN . 35.0 m -72.41 -19.0 19.2 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.991 0 CA-C-O 121.973 0.892 . . . . 25.0 111.715 169.416 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 110.106 -0.331 . . . . 25.0 110.106 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -62.72 -40.18 96.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.963 -0.461 . . . . 25.0 110.265 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.545 HD12 HG11 ' A' ' 14' ' ' VAL . 3.4 tt -63.57 -41.8 98.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.33 1.062 . . . . 25.0 109.991 176.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -69.69 -32.95 71.85 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 121.25 -0.906 . . . . 25.0 111.993 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -75.81 -27.44 57.92 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -45.93 92.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.629 -1.249 . . . . 25.0 107.629 172.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.67 -34.97 72.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -68.2 -28.29 67.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 119.881 -0.728 . . . . 25.0 109.407 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.0 m -63.58 -44.19 94.78 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.755 0.312 . . . . 25.0 110.427 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.64 -37.44 81.52 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.15 -46.51 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 119.389 -0.338 . . . . 25.0 110.253 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -58.76 -46.78 86.7 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.227 0.329 . . . . 25.0 110.667 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.552 HG11 HD12 ' A' ' 4' ' ' LEU . 85.4 t -63.63 -44.35 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 25.0 112.035 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.87 -47.03 86.82 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -61.82 -29.32 70.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.16 97.64 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -92.36 -22.37 19.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.786 0.327 . . . . 25.0 110.989 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.2 t -63.04 154.93 29.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.014 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.537 0 N-CA-C 110.977 -0.849 . . . . 25.0 110.977 -177.208 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm . . . . . 0 C--O 1.238 0.473 0 CA-C-O 121.336 0.589 . . . . 25.0 110.5 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.7 tp -137.85 136.91 37.59 Favored 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.15 148.88 51.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.499 0.59 . . . . 25.0 109.63 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.18 -43.89 95.51 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -26.99 67.16 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.754 0.706 . . . . 25.0 110.679 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -78.8 -23.51 45.12 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.39 -0.823 . . . . 25.0 109.502 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.4 tp -71.31 -28.76 64.33 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.575 -0.703 . . . . 25.0 110.063 173.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.602 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.0 ttpt -60.67 -31.59 70.83 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 120.454 -0.498 . . . . 25.0 109.995 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.8 -49.69 75.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.84 -45.74 93.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.33 -29.34 70.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.552 0.691 . . . . 25.0 111.825 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -81.98 -22.34 36.65 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 123.585 0.754 . . . . 25.0 112.388 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 37.5 m -105.26 -56.52 2.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -172.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -87.99 -24.11 23.63 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.922 -0.486 . . . . 25.0 111.574 -176.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.2 tp -105.11 10.37 33.93 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -51.13 -34.58 31.52 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.814 1.783 . . . . 25.0 115.814 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.35 -36.96 59.23 Favored Glycine 0 C--O 1.222 -0.597 0 C-N-CA 120.322 -0.942 . . . . 25.0 110.768 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.12 -29.63 65.49 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.889 -0.771 . . . . 25.0 109.398 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 25.1 tp -69.93 -43.23 72.04 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.88 -32.27 73.42 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.703 -0.68 . . . . 25.0 111.324 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.12 26.91 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -63.19 154.17 32.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.651 -0.5 . . . . 25.0 109.651 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -135.66 -54.66 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.022 0.439 . . . . 25.0 110.006 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -84.12 83.54 7.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.8 m -63.93 -28.73 45.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.996 -1.002 . . . . 25.0 112.596 -171.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.13 -35.48 80.6 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.14 -38.19 25.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.974 -0.557 . . . . 25.0 112.216 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -65.85 -39.06 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -80.54 -28.4 37.32 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.913 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -36.54 71.61 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 110.211 -0.292 . . . . 25.0 110.211 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.03 -43.04 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.397 0.617 . . . . 25.0 109.507 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.4 mmt -68.74 -50.69 48.58 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 112.482 0.549 . . . . 25.0 112.482 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -35.41 80.64 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.822 -0.351 . . . . 25.0 110.435 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -61.93 -43.85 97.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.72 -0.392 . . . . 25.0 110.348 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.602 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.92 -24.19 48.37 Favored 'General case' 0 C--O 1.206 -1.193 0 C-N-CA 118.879 -1.128 . . . . 25.0 110.437 -178.509 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.65 -25.81 67.61 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 111.963 0.357 . . . . 25.0 111.963 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -102.04 -23.23 14.12 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.375 0.607 . . . . 25.0 110.778 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -96.55 13.94 26.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.554 0.692 . . . . 25.0 109.618 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.7 -23.27 65.04 Favored Glycine 0 C--O 1.221 -0.669 0 N-CA-C 116.371 1.309 . . . . 25.0 116.371 -168.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -88.79 4.89 45.99 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.68 0.753 . . . . 25.0 110.229 -173.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.55 -156.14 31.53 Favored Glycine 0 N--CA 1.417 -2.624 0 N-CA-C 104.314 -3.514 . . . . 25.0 104.314 171.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.44 170.83 18.63 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.975 -0.721 . . . . 25.0 110.536 -173.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.25 165.52 17.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.754 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -123.01 -174.2 2.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 105.796 -1.928 . . . . 25.0 105.796 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -53.47 -48.35 68.96 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.467 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.3 tt0 -55.65 -45.77 77.59 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.315 0.507 . . . . 25.0 110.625 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -46.1 76.34 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-O 122.216 1.007 . . . . 25.0 108.75 -174.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -39.81 86.42 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.808 -1.087 . . . . 25.0 110.722 -177.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -71.04 -36.7 64.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 122.169 -0.332 . . . . 25.0 110.718 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 72' ' ' GLN . 58.4 t -59.52 -44.53 93.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 177.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -69.71 -37.57 76.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.893 0.378 . . . . 25.0 111.138 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.83 -43.91 99.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.9 83.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.038 -0.414 . . . . 25.0 110.567 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.36 90.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.315 0.578 . . . . 25.0 110.51 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.06 -32.33 68.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.655 0.741 . . . . 25.0 110.157 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 42.6 m -65.42 -44.97 85.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.067 -0.515 . . . . 25.0 110.489 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 72' ' ' GLN . 35.8 m -69.67 -22.44 25.13 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 N-CA-C 113.796 1.036 . . . . 25.0 113.796 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 CA-C-O 121.999 0.904 . . . . 25.0 110.82 170.589 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.239 0.521 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -62.0 -39.26 91.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.478 HD22 HD13 ' B' ' 41' ' ' LEU . 3.4 tt -64.71 -41.83 95.71 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 121.576 0.703 . . . . 25.0 110.772 177.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.04 -37.2 85.27 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 121.512 -0.743 . . . . 25.0 111.628 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.2 p -76.1 -26.86 56.83 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.7 98.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 172.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.9 mmm -71.92 -31.16 66.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -69.64 -26.55 64.47 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.88 -0.728 . . . . 25.0 109.567 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 m -62.92 -43.53 98.54 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.162 0.506 . . . . 25.0 109.996 172.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.07 -36.57 84.45 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.72 -48.3 85.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -58.93 -50.93 72.18 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.225 0.536 . . . . 25.0 111.698 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.2 p -67.05 -35.96 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-N 115.612 -0.722 . . . . 25.0 112.629 -177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.48 -45.84 92.29 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.94 -1.1 . . . . 25.0 109.479 173.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -74.58 -14.06 60.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.254 1.205 . . . . 25.0 114.254 -175.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.76 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -93.22 -25.24 17.89 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 p . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 121.469 0.652 . . . . 25.0 111.489 -174.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 . . . . . 0 N--CA 1.469 0.483 0 CA-C-O 121.196 0.522 . . . . 25.0 110.469 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -127.34 158.57 36.91 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.787 -0.642 . . . . 25.0 109.915 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.1 tp -138.94 131.85 29.38 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.344 -1.354 . . . . 25.0 107.344 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.8 OUTLIER -65.99 151.38 46.92 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.428 -0.17 . . . . 25.0 111.068 -179.435 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -63.83 -41.1 97.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -28.56 70.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.748 1.158 . . . . 25.0 110.504 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -80.4 -27.42 38.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.644 0.735 . . . . 25.0 110.428 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.41 HD11 ' HD1' ' A' ' 74' ' ' TYR . 14.9 tp -64.38 -34.3 77.85 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.916 -0.49 . . . . 25.0 110.071 175.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HB2' HD11 ' A' ' 61' ' ' LEU . 6.9 ttpp -56.04 -37.73 69.62 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.22 -0.445 . . . . 25.0 110.865 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.33 -48.42 75.65 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.22 -44.98 96.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.68 -30.5 71.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 25.0 111.731 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.91 -21.69 37.22 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 122.818 0.447 . . . . 25.0 112.102 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.3 m -104.31 -53.87 2.64 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 -173.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -89.95 -22.24 22.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.426 HD13 HD22 ' B' ' 4' ' ' LEU . 14.4 tp -109.42 10.35 25.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.733 -0.84 . . . . 25.0 108.733 176.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.94 -40.01 13.41 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 115.239 1.57 . . . . 25.0 115.239 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.29 80.02 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.102 -1.047 . . . . 25.0 113.397 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.2 m-30 -82.55 -29.58 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.711 -0.876 . . . . 25.0 108.929 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.0 tp -69.55 -42.3 74.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.973 0.416 . . . . 25.0 110.135 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.06 -35.23 79.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.606 0.717 . . . . 25.0 110.726 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.43 28.43 3.72 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.984 -0.553 . . . . 25.0 110.807 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.23 155.44 24.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.161 0.505 . . . . 25.0 110.667 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -128.61 -48.48 1.27 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.065 -0.717 . . . . 25.0 109.065 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -81.01 90.11 5.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 25.0 110.59 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.5 m -67.18 -23.54 30.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.673 -0.694 . . . . 25.0 111.743 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -78.15 -41.0 36.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.076 0.465 . . . . 25.0 110.289 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.47 -39.92 44.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.43 -37.68 80.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.036 -0.727 . . . . 25.0 109.036 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.62 -27.78 40.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.877 -0.601 . . . . 25.0 110.629 -176.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -60.0 -37.29 79.26 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.858 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.413 HG13 HD22 ' A' ' 77' ' ' LEU . 78.1 t -70.92 -44.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.844 0.83 . . . . 25.0 109.516 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.6 mmt -69.53 -45.96 67.61 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.8 -174.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -36.09 82.54 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.589 -0.152 . . . . 25.0 110.589 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -62.09 -46.92 86.93 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -79.41 -19.55 49.74 Favored 'General case' 0 C--O 1.208 -1.123 0 C-N-CA 119.672 -0.811 . . . . 25.0 110.55 -174.219 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.31 -30.62 71.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.408 0.623 . . . . 25.0 110.274 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -98.29 -28.19 13.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.705 0.764 . . . . 25.0 110.307 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -98.37 17.17 19.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.365 -0.834 . . . . 25.0 111.584 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.73 -19.33 62.8 Favored Glycine 0 CA--C 1.502 -0.72 0 CA-C-O 121.389 0.438 . . . . 25.0 114.019 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -84.36 -4.49 58.92 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.741 0.782 . . . . 25.0 109.639 -173.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.59 -162.0 37.88 Favored Glycine 0 N--CA 1.423 -2.214 0 N-CA-C 106.506 -2.637 . . . . 25.0 106.506 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 18.2 pt-20 -150.23 165.58 32.52 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.152 -1.024 . . . . 25.0 109.443 -175.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.22 167.68 22.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.087 -0.96 . . . . 25.0 108.906 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -119.52 -174.15 2.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 104.921 -2.251 . . . . 25.0 104.921 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -52.89 -46.43 67.97 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 113.045 0.757 . . . . 25.0 113.045 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.499 ' HB2' HG11 ' B' ' 83' ' ' VAL . 62.4 tt0 -55.22 -49.7 71.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.492 0.587 . . . . 25.0 111.033 -177.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -73.18 -38.22 66.24 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 121.614 0.721 . . . . 25.0 109.627 -172.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.41 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -59.21 -41.37 88.42 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.575 -0.739 . . . . 25.0 109.809 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.3 t -71.49 -36.78 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 122.176 -0.328 . . . . 25.0 111.134 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.67 -44.34 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.413 HD22 HG13 ' A' ' 57' ' ' VAL . 25.1 mt -71.5 -35.54 70.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.309 -178.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.04 -43.64 97.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 175.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.3 83.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.955 -0.466 . . . . 25.0 110.915 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.54 99.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.313 0.578 . . . . 25.0 109.905 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -34.89 75.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.52 0.676 . . . . 25.0 109.976 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.8 m -63.32 -41.67 98.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.819 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.1 m -76.35 -23.98 15.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 O-C-N 121.042 -1.036 . . . . 25.0 111.956 177.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.376 0 CA-C-O 122.433 1.111 . . . . 25.0 108.697 172.615 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 C--O 1.237 0.414 0 N-CA-C 108.72 -0.845 . . . . 25.0 108.72 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -61.58 -34.58 75.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.355 0.598 . . . . 25.0 109.735 176.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.426 HD22 HD13 ' A' ' 41' ' ' LEU . 3.3 tt -68.14 -41.76 81.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.196 0.522 . . . . 25.0 110.738 178.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.41 -40.18 95.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.464 -0.773 . . . . 25.0 110.683 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.9 p -71.51 -27.92 63.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.654 -0.418 . . . . 25.0 110.622 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.68 97.24 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.3 mmm -71.15 -31.98 68.37 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -67.71 -28.44 67.66 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.603 -0.686 . . . . 25.0 109.521 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.0 m -63.77 -43.19 97.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.092 0.472 . . . . 25.0 110.398 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.09 -37.78 88.69 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.06 -0.719 . . . . 25.0 109.06 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.26 -47.48 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.052 -0.722 . . . . 25.0 109.052 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -57.41 -50.8 71.84 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -70.92 -35.16 58.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 N-CA-C 112.661 0.615 . . . . 25.0 112.661 -175.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.78 -45.83 91.07 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.264 -0.897 . . . . 25.0 109.448 173.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -73.43 -14.1 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.12 1.156 . . . . 25.0 114.12 -175.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.51 94.86 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 175.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -94.08 -19.88 20.43 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.9 p -62.03 163.79 7.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.671 0 C-N-CA 120.923 -0.656 . . . . 25.0 112.787 -179.415 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm . . . . . 0 C--O 1.235 0.325 0 CA-C-O 121.243 0.544 . . . . 25.0 111.975 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.6 tp -141.13 135.63 31.09 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 108.141 -1.059 . . . . 25.0 108.141 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 1.0 OUTLIER -63.86 147.93 50.65 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 -179.585 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -63.65 -48.58 76.66 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.472 -0.767 . . . . 25.0 112.508 -177.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.462 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.88 -33.58 67.01 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.429 0.529 . . . . 25.0 112.429 176.488 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.05 -30.69 62.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.625 0.726 . . . . 25.0 110.875 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.2 -28.8 70.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.041 -0.527 . . . . 25.0 111.635 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.528 ' HB2' HD11 ' B' ' 61' ' ' LEU . 36.4 ttpt -61.89 -37.12 83.38 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 120.702 -0.399 . . . . 25.0 110.381 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.25 -44.11 84.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.27 -45.85 92.79 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.023 -0.535 . . . . 25.0 109.836 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.73 -29.46 70.68 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 121.4 0.619 . . . . 25.0 111.893 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -81.93 -20.55 38.44 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.014 0.526 . . . . 25.0 111.2 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -99.24 -55.27 2.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.739 -0.664 . . . . 25.0 111.95 -177.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -88.83 -18.65 27.21 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.478 HD13 HD22 ' A' ' 4' ' ' LEU . 8.4 tp -117.12 13.09 14.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.501 0.667 . . . . 25.0 109.791 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.54 -37.27 11.84 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 115.209 1.559 . . . . 25.0 115.209 175.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.95 -28.95 71.16 Favored Glycine 0 C--O 1.226 -0.391 0 C-N-CA 120.833 -0.699 . . . . 25.0 112.49 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -78.78 -26.83 44.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.687 -0.89 . . . . 25.0 108.741 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.43 -40.14 70.59 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.444 -0.576 . . . . 25.0 109.444 175.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.49 -33.15 74.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.455 0.645 . . . . 25.0 111.512 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.21 25.85 8.38 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.979 -0.555 . . . . 25.0 111.124 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -63.32 151.6 40.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.077 0.465 . . . . 25.0 109.963 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -127.44 -49.2 1.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.712 -0.848 . . . . 25.0 108.712 177.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -88.25 91.58 8.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.754 -0.657 . . . . 25.0 109.824 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.92 -30.28 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.647 -0.706 . . . . 25.0 111.504 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.56 -38.63 84.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.494 0.664 . . . . 25.0 110.103 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.61 -39.61 36.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.97 -0.559 . . . . 25.0 111.737 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.07 -39.21 79.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.803 -0.443 . . . . 25.0 109.803 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -79.45 -26.79 41.68 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 116.38 -0.373 . . . . 25.0 110.564 -176.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -55.83 -43.26 76.83 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.55 -43.5 90.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.56 0.695 . . . . 25.0 109.666 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.9 mmt -69.05 -49.21 59.5 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.79 -0.641 . . . . 25.0 112.211 -175.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -37.2 86.01 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 121.005 -0.278 . . . . 25.0 110.576 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.99 -46.1 90.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.92 -21.59 50.91 Favored 'General case' 0 C--O 1.209 -1.068 0 C-N-CA 119.133 -1.027 . . . . 25.0 110.492 -175.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.28 -27.87 69.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.305 0.574 . . . . 25.0 110.365 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -101.28 -22.73 14.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.535 0.684 . . . . 25.0 110.528 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -95.81 16.53 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.902 -0.59 . . . . 25.0 109.56 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.4 20.34 2.72 Favored Glycine 0 C--O 1.218 -0.855 0 CA-C-O 121.636 0.576 . . . . 25.0 113.623 -176.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -100.94 -30.11 11.83 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 174.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.38 -152.31 27.13 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 122.812 1.229 . . . . 25.0 114.649 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.461 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 9.8 pt-20 -148.78 171.11 16.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 113.598 -1.301 . . . . 25.0 110.376 -170.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 m -141.09 170.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.088 -0.96 . . . . 25.0 108.749 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -117.85 -174.12 2.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 105.734 -1.95 . . . . 25.0 105.734 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.52 -46.9 70.27 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 113.063 0.764 . . . . 25.0 113.063 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.448 ' O ' HG23 ' B' ' 76' ' ' VAL . 65.7 tt0 -54.69 -48.93 71.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 118.143 0.429 . . . . 25.0 111.0 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.38 -36.34 66.05 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.568 0.699 . . . . 25.0 109.785 -172.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -40.02 89.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.796 -0.638 . . . . 25.0 109.342 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 86.4 t -72.63 -35.89 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.257 -0.277 . . . . 25.0 110.985 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 72' ' ' GLN . 57.7 t -57.71 -44.97 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 176.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.4 mt -70.9 -37.03 72.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.353 -0.385 . . . . 25.0 111.411 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.23 -44.42 99.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.38 -37.61 87.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.098 -0.376 . . . . 25.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.29 97.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.28 0.562 . . . . 25.0 110.448 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.14 -36.56 77.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.453 0.644 . . . . 25.0 109.581 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -61.71 -43.4 98.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.152 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.499 HG11 ' HB2' ' A' ' 72' ' ' GLN . 23.3 m -71.65 -23.96 22.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 119.317 0.962 . . . . 25.0 113.195 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 121.575 0.703 . . . . 25.0 110.005 174.533 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p . . . . . 0 C--O 1.238 0.475 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.86 -29.39 69.83 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 120.552 -0.459 . . . . 25.0 109.965 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.542 HD12 HG11 ' B' ' 14' ' ' VAL . 1.5 tt -66.52 -42.93 86.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.46 0.648 . . . . 25.0 109.662 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.73 -42.16 97.95 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.596 -0.69 . . . . 25.0 110.005 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 p -71.5 -27.25 63.09 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.568 -0.453 . . . . 25.0 110.632 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.39 87.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -71.66 -30.57 65.88 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.49 0.552 . . . . 25.0 112.49 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -70.26 -27.45 64.45 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 m -65.85 -42.98 89.8 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.86 -35.07 75.65 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.789 -0.819 . . . . 25.0 108.789 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -67.13 -45.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.62 -50.53 73.49 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.332 0.587 . . . . 25.0 110.342 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.435 HG11 HD12 ' B' ' 4' ' ' LEU . 73.0 t -62.49 -42.78 97.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.322 -0.854 . . . . 25.0 111.151 -178.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.42 -48.38 81.45 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.758 -0.589 . . . . 25.0 110.859 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -64.85 -23.3 67.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.753 0.279 . . . . 25.0 111.753 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.04 79.07 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.879 0.326 . . . . 25.0 111.879 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -102.43 -17.25 15.9 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.901 0.382 . . . . 25.0 111.08 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 CA--C 1.506 -0.744 0 CA-C-O 121.886 0.85 . . . . 25.0 111.789 -178.836 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 CA--C 1.518 -0.264 0 N-CA-C 110.624 -0.139 . . . . 25.0 110.624 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -126.23 148.23 49.51 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.762 0.791 . . . . 25.0 111.387 -176.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.66 133.14 31.98 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 106.314 -1.736 . . . . 25.0 106.314 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.456 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -64.09 147.63 51.74 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 121.071 -0.252 . . . . 25.0 110.787 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -60.32 -51.45 69.45 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.398 -0.814 . . . . 25.0 112.981 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -30.76 68.17 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -78.19 -23.75 47.46 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.486 -0.325 . . . . 25.0 110.827 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.499 HD11 ' HD1' ' A' ' 74' ' ' TYR . 37.3 tp -69.81 -26.43 64.24 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 121.482 -0.761 . . . . 25.0 110.212 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.646 ' HB2' HD11 ' A' ' 61' ' ' LEU . 33.7 ttpt -61.69 -32.36 72.55 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 120.282 -0.567 . . . . 25.0 109.63 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.97 -47.58 85.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.64 -44.02 97.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.195 0.522 . . . . 25.0 109.835 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.75 -28.68 69.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.668 0.747 . . . . 25.0 111.721 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -81.89 -22.42 36.88 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 123.5 0.72 . . . . 25.0 111.484 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.1 m -101.78 -59.69 1.66 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.466 0.913 . . . . 25.0 113.466 -173.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.3 -43.15 19.54 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 122.021 0.915 . . . . 25.0 110.372 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tp -89.29 11.41 19.03 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.915 -1.039 . . . . 25.0 109.715 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -52.5 -37.33 57.16 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 115.381 1.623 . . . . 25.0 115.381 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.58 -37.79 52.23 Favored Glycine 0 C--O 1.226 -0.39 0 N-CA-C 110.057 -1.217 . . . . 25.0 110.057 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -66.88 -26.21 66.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.247 -0.476 . . . . 25.0 110.437 176.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.2 tp -78.43 -44.51 24.57 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.431 0.692 . . . . 25.0 110.617 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -65.73 -30.65 71.35 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.766 -0.652 . . . . 25.0 111.848 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.1 21.89 4.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.108 -0.37 . . . . 25.0 110.179 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.72 152.63 30.57 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.193 0.52 . . . . 25.0 110.133 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -133.62 -48.9 0.83 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.383 0.611 . . . . 25.0 109.619 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -83.53 82.08 8.45 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.4 m -63.28 -22.7 31.42 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 115.325 -0.852 . . . . 25.0 112.115 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.33 -43.13 67.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.569 -0.53 . . . . 25.0 109.569 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.51 -34.7 60.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.386 0.513 . . . . 25.0 112.386 -174.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.41 -36.68 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -79.99 -23.99 41.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.588 -0.733 . . . . 25.0 110.952 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.45 -23.44 64.44 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 116.558 -0.292 . . . . 25.0 110.98 174.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.1 t -92.9 -48.4 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.762 0.791 . . . . 25.0 110.406 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.1 mmt -68.22 -52.8 30.14 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 -173.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -35.98 82.15 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -58.88 -49.29 78.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.447 -0.501 . . . . 25.0 109.932 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.74 -21.0 48.65 Favored 'General case' 0 C--O 1.206 -1.217 0 C-N-CA 119.153 -1.019 . . . . 25.0 109.852 -174.183 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.62 -25.08 66.42 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 122.1 -0.375 . . . . 25.0 110.492 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -100.18 -27.05 13.72 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.509 0.671 . . . . 25.0 110.531 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -95.19 19.74 10.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.937 0.875 . . . . 25.0 109.278 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.9 32.29 2.72 Favored Glycine 0 C--O 1.216 -1.003 0 CA-C-N 115.326 -0.852 . . . . 25.0 112.758 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -115.88 -7.82 11.98 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 120.616 0.246 . . . . 25.0 111.173 171.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.43 -156.46 30.37 Favored Glycine 0 N--CA 1.435 -1.399 0 CA-C-O 122.964 1.314 . . . . 25.0 110.611 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -149.61 159.27 44.46 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 113.186 -1.507 . . . . 25.0 108.993 -174.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.07 170.5 16.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 123.386 0.674 . . . . 25.0 110.521 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -119.53 -174.13 2.67 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -53.57 -47.75 69.81 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 113.183 0.808 . . . . 25.0 113.183 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.529 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.4 tt0 -55.01 -45.25 75.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 118.082 0.401 . . . . 25.0 110.629 -177.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.03 -42.88 65.82 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 122.018 0.913 . . . . 25.0 109.891 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.499 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -57.17 -40.79 77.99 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.902 -1.044 . . . . 25.0 110.477 -179.648 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.7 t -71.9 -36.91 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 122.252 -0.28 . . . . 25.0 111.004 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.31 -45.25 93.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 177.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.1 mt -68.39 -37.86 80.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.185 0.517 . . . . 25.0 110.846 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.7 t -63.35 -43.8 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.292 -0.413 . . . . 25.0 110.051 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.31 86.25 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.999 -0.438 . . . . 25.0 110.566 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.33 96.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.376 0.608 . . . . 25.0 110.046 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.56 -37.94 80.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.351 0.596 . . . . 25.0 109.952 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.3 m -60.73 -47.91 84.18 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.389 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.536 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.3 m -64.54 -23.58 33.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 N-CA-C 113.207 0.818 . . . . 25.0 113.207 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.959 0 N-CA-C 113.293 0.849 . . . . 25.0 113.293 172.364 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.37 -44.04 95.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.198 0.523 . . . . 25.0 111.518 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.435 HD12 HG11 ' A' ' 14' ' ' VAL . 2.7 tt -66.02 -39.9 90.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.011 0.91 . . . . 25.0 109.576 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -65.76 -38.42 89.03 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 121.832 -0.542 . . . . 25.0 111.126 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.2 p -71.8 -27.97 63.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.464 -0.495 . . . . 25.0 110.111 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.68 89.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -71.8 -31.46 66.59 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.98 -27.24 64.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.0 m -64.29 -43.04 96.01 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.981 0.42 . . . . 25.0 110.179 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.32 -35.52 77.62 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.701 -0.481 . . . . 25.0 109.701 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -65.52 -45.49 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -57.61 -50.13 74.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 25.0 110.526 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.542 HG11 HD12 ' A' ' 4' ' ' LEU . 89.0 t -62.66 -43.1 98.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.411 -0.813 . . . . 25.0 111.754 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -61.92 -46.99 86.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.839 -0.538 . . . . 25.0 110.415 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -67.08 -25.42 66.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.394 -0.366 . . . . 25.0 111.829 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.92 80.38 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.184 0.438 . . . . 25.0 112.184 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -99.41 -10.63 21.98 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 120.817 0.341 . . . . 25.0 110.879 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.2 m -65.98 156.75 32.68 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.924 0.868 . . . . 25.0 111.155 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.439 0 CA-C-N 115.087 -0.961 . . . . 25.0 111.55 -177.324 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 121.17 0.51 . . . . 25.0 110.397 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.19 138.07 41.54 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 106.406 -1.701 . . . . 25.0 106.406 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -65.9 152.58 44.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -179.322 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -65.5 -52.02 55.8 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.215 0.916 . . . . 25.0 112.142 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -30.84 64.66 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.627 -0.67 . . . . 25.0 112.062 177.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -81.03 -23.53 38.54 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 121.218 0.532 . . . . 25.0 111.192 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.412 HD11 ' HD1' ' B' ' 74' ' ' TYR . 15.3 tp -66.48 -31.36 72.04 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 121.465 -0.772 . . . . 25.0 109.96 175.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.667 ' HB2' HD11 ' B' ' 61' ' ' LEU . 34.5 ttpt -60.12 -32.65 71.2 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.497 178.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -66.18 -48.72 69.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.33 -45.56 91.03 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.51 -30.18 71.09 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.06 -0.518 . . . . 25.0 111.579 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -81.47 -21.76 38.52 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 113.253 0.835 . . . . 25.0 113.253 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 35.5 m -100.75 -48.66 4.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.568 -1.651 . . . . 25.0 111.986 -173.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -94.18 -39.99 10.26 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.425 HD13 HD22 ' A' ' 4' ' ' LEU . 12.0 tp -90.57 10.61 24.84 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.298 1.047 . . . . 25.0 108.477 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -37.36 27.8 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 115.624 1.713 . . . . 25.0 115.624 177.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.98 -29.24 73.41 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 118.543 0.61 . . . . 25.0 112.173 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -80.7 -28.09 36.77 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.887 -0.773 . . . . 25.0 109.355 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.29 -40.8 77.49 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.259 0.349 . . . . 25.0 110.353 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.84 -35.6 81.12 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.894 0.854 . . . . 25.0 110.605 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.86 38.32 1.95 Allowed 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.532 -0.758 . . . . 25.0 109.888 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -71.28 157.6 37.83 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -135.36 -42.94 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -85.11 89.84 7.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 30.0 m -67.6 -22.12 28.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.844 -0.616 . . . . 25.0 111.944 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.73 -46.58 21.38 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.07 64.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -176.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.72 -37.8 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.31 -31.08 38.23 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.903 -0.589 . . . . 25.0 110.786 -174.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -64.08 -33.86 76.72 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.5 t -69.18 -40.66 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.9 mmt -70.21 -48.48 56.87 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 115.03 -0.986 . . . . 25.0 111.624 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -37.08 86.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.266 -0.272 . . . . 25.0 110.266 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -59.52 -48.55 81.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.72 -20.5 53.44 Favored 'General case' 0 C--O 1.212 -0.898 0 C-N-CA 118.854 -1.138 . . . . 25.0 110.082 -173.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.7 -25.01 65.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.902 0.382 . . . . 25.0 110.617 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -101.31 -25.71 13.87 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.167 0.508 . . . . 25.0 110.292 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -94.88 25.34 4.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.104 -1.072 . . . . 25.0 108.104 174.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.77 29.9 4.0 Favored Glycine 0 C--O 1.224 -0.473 0 CA-C-O 122.206 0.892 . . . . 25.0 110.902 -177.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -104.53 -29.88 10.38 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.979 -0.61 . . . . 25.0 110.497 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -101.08 -149.44 23.06 Favored Glycine 0 N--CA 1.437 -1.273 0 CA-C-O 122.349 0.972 . . . . 25.0 114.271 -173.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.452 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 10.9 pt-20 -149.72 156.49 41.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.217 -0.992 . . . . 25.0 110.616 -171.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -128.58 174.13 12.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.313 -0.858 . . . . 25.0 110.56 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -124.04 -174.47 3.0 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -52.38 -47.88 65.93 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 113.293 0.849 . . . . 25.0 113.293 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.536 ' HB2' HG11 ' A' ' 83' ' ' VAL . 64.5 tt0 -55.46 -46.95 76.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.421 0.555 . . . . 25.0 111.442 -177.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -42.84 70.37 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 122.184 0.993 . . . . 25.0 109.156 -173.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.412 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -59.56 -40.11 86.2 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.01 -0.995 . . . . 25.0 110.611 -179.202 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.2 t -71.45 -36.47 60.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 121.113 -0.235 . . . . 25.0 110.856 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 72' ' ' GLN . 61.8 t -58.52 -46.02 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.8 mt -69.98 -37.19 75.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.923 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 t -62.8 -43.54 98.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.14 84.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.056 -0.403 . . . . 25.0 110.728 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.78 98.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.27 0.557 . . . . 25.0 110.284 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.87 -34.34 73.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.352 0.596 . . . . 25.0 109.811 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 88.7 m -62.95 -42.4 99.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.032 -0.418 . . . . 25.0 111.428 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.529 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.8 m -72.49 -26.35 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 119.412 1.005 . . . . 25.0 111.346 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 122.147 0.975 . . . . 25.0 110.002 173.038 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 C--O 1.238 0.484 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -35.33 78.07 Favored 'General case' 0 C--O 1.214 -0.813 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.096 177.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.609 HD22 HD13 ' B' ' 41' ' ' LEU . 2.5 tt -66.58 -42.3 87.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.349 0.595 . . . . 25.0 110.612 177.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -64.97 -41.65 95.27 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.707 -0.621 . . . . 25.0 110.684 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.3 p -74.0 -28.46 61.46 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.081 -0.34 . . . . 25.0 110.081 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -47.15 86.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.037 -1.097 . . . . 25.0 108.037 175.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.7 mmm -69.71 -32.27 70.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.876 -0.515 . . . . 25.0 111.985 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -67.46 -31.0 70.86 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 m -63.76 -43.4 96.55 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 174.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.74 -37.25 85.83 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.03 -48.26 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.427 -0.583 . . . . 25.0 109.427 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -59.81 -49.52 77.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.848 0.356 . . . . 25.0 111.601 -177.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 p -69.34 -34.59 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 122.31 -0.244 . . . . 25.0 110.854 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -61.12 -46.74 89.34 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.432 -0.793 . . . . 25.0 110.07 172.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -63.08 -30.68 71.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 25.0 111.588 -177.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.2 -39.01 77.88 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -95.06 -13.84 24.81 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.747 0.277 . . . . 25.0 111.747 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--N 1.327 -0.395 0 N-CA-C 113.601 0.963 . . . . 25.0 113.601 -177.498 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 110.75 -0.093 . . . . 25.0 110.75 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -124.56 138.85 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.689 0.757 . . . . 25.0 111.539 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.52 134.37 48.66 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.16 153.68 42.83 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 119.548 -0.861 . . . . 25.0 109.652 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -64.06 -43.62 94.92 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 113.422 0.897 . . . . 25.0 113.422 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -30.57 71.65 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.446 1.021 . . . . 25.0 110.189 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -77.99 -27.77 49.15 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.353 -0.839 . . . . 25.0 110.169 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.409 HD22 HG21 ' A' ' 69' ' ' VAL . 18.2 tp -63.7 -33.58 75.95 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 121.919 -0.488 . . . . 25.0 110.67 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.578 ' HB2' HD11 ' A' ' 61' ' ' LEU . 33.7 ttpt -60.5 -32.41 71.42 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 120.729 -0.389 . . . . 25.0 110.743 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.25 -48.73 76.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.18 -46.21 90.48 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.119 -0.697 . . . . 25.0 109.119 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.68 -31.08 72.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 25.0 111.892 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.98 -22.4 36.62 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 122.876 0.471 . . . . 25.0 111.874 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.0 m -97.88 -59.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.581 0.586 . . . . 25.0 112.581 -175.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -85.94 -25.56 26.01 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.391 0.515 . . . . 25.0 112.391 -174.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.501 HD13 HD22 ' B' ' 4' ' ' LEU . 11.9 tp -103.56 10.76 36.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 176.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -48.02 -39.15 18.89 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.677 1.732 . . . . 25.0 115.677 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.27 65.02 Favored Glycine 0 C--N 1.324 -0.098 0 N-CA-C 110.7 -0.96 . . . . 25.0 110.7 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -70.03 -32.66 70.9 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.778 -0.837 . . . . 25.0 108.906 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -41.95 76.45 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 120.782 0.325 . . . . 25.0 110.889 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.69 -35.77 80.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.666 0.746 . . . . 25.0 111.004 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.8 29.08 3.53 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.76 -0.655 . . . . 25.0 110.156 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.4 153.18 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -126.4 -50.23 1.53 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -86.01 82.12 8.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.867 0.841 . . . . 25.0 109.208 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.41 -23.03 32.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 114.909 -1.041 . . . . 25.0 113.452 -174.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.32 -42.94 61.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.31 0.576 . . . . 25.0 109.703 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.77 62.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.875 -174.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -64.6 -37.9 81.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -77.42 -28.05 52.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.485 -0.78 . . . . 25.0 111.814 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -55.75 -39.96 71.9 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 122.353 -0.217 . . . . 25.0 110.994 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.8 t -74.26 -45.62 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.367 0.603 . . . . 25.0 110.105 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -67.72 -47.18 70.09 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 -173.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -65.77 -35.3 80.33 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.774 -0.371 . . . . 25.0 110.523 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -47.55 81.62 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 177.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -76.48 -20.47 56.96 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 119.704 -0.798 . . . . 25.0 109.721 -172.052 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -24.67 67.91 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.508 -0.477 . . . . 25.0 111.099 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -102.83 -27.44 12.66 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.627 0.727 . . . . 25.0 111.237 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -97.11 13.97 27.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.524 -0.762 . . . . 25.0 110.871 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.41 -19.53 62.3 Favored Glycine 0 C--O 1.219 -0.798 0 N-CA-C 114.958 0.743 . . . . 25.0 114.958 -171.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -87.29 3.84 45.15 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.842 0.829 . . . . 25.0 109.886 -172.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.34 -158.44 34.07 Favored Glycine 0 N--CA 1.421 -2.335 0 N-CA-C 106.402 -2.679 . . . . 25.0 106.402 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.74 165.43 35.34 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.817 -0.692 . . . . 25.0 109.86 -174.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.409 HG21 HD22 ' A' ' 33' ' ' LEU . 2.5 m -140.2 167.65 18.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.068 -0.969 . . . . 25.0 109.214 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -123.06 -174.17 2.88 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 105.491 -2.04 . . . . 25.0 105.491 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -52.37 -46.96 66.42 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' HB2' HG11 ' B' ' 83' ' ' VAL . 59.1 tt0 -55.11 -48.12 74.05 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.517 0.599 . . . . 25.0 111.064 -178.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -73.02 -40.83 64.84 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-O 121.873 0.844 . . . . 25.0 108.861 -171.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -42.36 86.91 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.065 -0.971 . . . . 25.0 110.08 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.6 t -71.1 -37.38 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 122.027 -0.421 . . . . 25.0 111.306 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.15 -43.91 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.38 -36.28 71.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.547 -0.297 . . . . 25.0 111.532 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.5 t -62.65 -43.06 98.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 175.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.1 83.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.152 -0.343 . . . . 25.0 110.763 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.73 94.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 25.0 110.469 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.21 -34.48 72.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.127 0.489 . . . . 25.0 109.797 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.1 m -64.14 -42.35 96.83 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 122.21 -0.307 . . . . 25.0 111.22 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.49 HG11 ' HB2' ' B' ' 72' ' ' GLN . 33.3 m -73.52 -19.04 17.9 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 O-C-N 121.353 -0.842 . . . . 25.0 112.189 177.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.942 0 CA-C-O 121.954 0.883 . . . . 25.0 110.965 169.946 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 N--CA 1.468 0.427 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -63.98 -31.11 72.17 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.071 -0.652 . . . . 25.0 110.227 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.501 HD22 HD13 ' A' ' 41' ' ' LEU . 5.0 tt -67.77 -43.13 80.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.849 0.833 . . . . 25.0 109.114 178.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.14 -35.58 76.53 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.76 -0.587 . . . . 25.0 111.072 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.7 p -73.31 -27.48 61.56 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.265 -0.574 . . . . 25.0 109.636 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.22 91.99 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 107.442 -1.318 . . . . 25.0 107.442 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.8 mmm -70.95 -32.43 69.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.48 -27.94 66.59 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.603 -0.685 . . . . 25.0 109.177 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.6 m -63.78 -42.82 97.69 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.24 -37.07 85.79 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -63.69 -48.83 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -60.53 -45.66 93.02 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 112.407 0.521 . . . . 25.0 112.407 -177.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 p -73.35 -34.85 44.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 119.235 -0.412 . . . . 25.0 111.424 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -59.04 -49.95 75.96 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.989 0.813 . . . . 25.0 108.843 172.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -62.28 -23.7 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.047 -0.979 . . . . 25.0 113.5 -175.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.89 97.57 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.355 -0.216 . . . . 25.0 111.464 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -91.54 -17.9 24.94 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.445 0.165 . . . . 25.0 111.445 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -56.94 154.81 8.9 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.26 0 N-CA-C 115.279 0.871 . . . . 25.0 115.279 176.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm . . . . . 0 CA--C 1.515 -0.392 0 N-CA-C 109.028 -0.73 . . . . 25.0 109.028 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 138.49 24.93 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 105.941 -1.874 . . . . 25.0 105.941 170.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -70.26 151.61 45.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 119.033 0.833 . . . . 25.0 109.983 -177.22 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -61.26 -42.21 98.23 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.53 0.937 . . . . 25.0 113.53 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -28.4 68.77 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.393 0.997 . . . . 25.0 110.72 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.18 -23.51 47.57 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 tp -70.34 -30.67 67.68 Favored 'General case' 0 C--O 1.219 -0.538 0 O-C-N 121.787 -0.57 . . . . 25.0 110.062 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.589 ' HB2' HD11 ' B' ' 61' ' ' LEU . 35.9 ttpt -61.9 -34.46 76.09 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -65.71 -49.39 68.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.809 -0.811 . . . . 25.0 108.809 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.33 -45.35 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.366 0.603 . . . . 25.0 110.121 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.26 -29.78 71.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.136 0.493 . . . . 25.0 111.286 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -81.89 -22.39 36.88 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.984 0.364 . . . . 25.0 111.984 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -98.62 -54.37 3.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.692 -0.685 . . . . 25.0 111.485 -173.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -91.09 -26.89 18.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.181 0.515 . . . . 25.0 112.382 -173.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.609 HD13 HD22 ' A' ' 4' ' ' LEU . 11.1 tp -105.87 12.21 30.96 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.593 0.711 . . . . 25.0 109.312 177.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.08 -39.15 8.9 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.428 1.64 . . . . 25.0 115.428 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.99 -32.82 77.8 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.007 -1.092 . . . . 25.0 113.065 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -70.8 -27.69 64.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.508 -0.996 . . . . 25.0 109.258 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.0 mt -77.93 -37.48 47.59 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.642 0.589 . . . . 25.0 111.215 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.8 -34.49 78.28 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 122.074 0.94 . . . . 25.0 109.519 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.72 31.75 4.27 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 115.12 -0.945 . . . . 25.0 110.639 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -62.9 162.57 10.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.973 0.416 . . . . 25.0 109.92 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -136.31 -61.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.083 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -76.86 92.14 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.1 m -66.22 -27.34 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.429 -175.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.45 -43.46 49.47 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.06 -40.07 63.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.047 -0.408 . . . . 25.0 112.072 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.84 -39.67 85.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -30.23 36.74 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.03 0.443 . . . . 25.0 111.062 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -58.28 -36.65 73.6 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 110.121 -0.325 . . . . 25.0 110.121 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.62 -42.43 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.886 -0.783 . . . . 25.0 108.886 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.8 mmt -67.69 -49.43 62.76 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -36.3 83.21 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.693 -0.403 . . . . 25.0 110.613 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.87 -41.39 99.36 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.677 -0.409 . . . . 25.0 110.353 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -78.04 -24.57 47.72 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 118.875 -1.13 . . . . 25.0 110.432 -179.552 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.14 -26.51 67.74 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.142 0.423 . . . . 25.0 112.142 -176.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -102.38 -20.36 14.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.399 0.619 . . . . 25.0 110.826 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -98.17 12.31 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.808 -0.633 . . . . 25.0 109.619 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.91 -22.22 66.35 Favored Glycine 0 C--O 1.221 -0.665 0 N-CA-C 116.495 1.358 . . . . 25.0 116.495 -167.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -91.37 5.25 50.06 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 121.55 0.69 . . . . 25.0 111.039 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.5 -160.66 36.5 Favored Glycine 0 N--CA 1.417 -2.613 0 N-CA-C 103.376 -3.89 . . . . 25.0 103.376 171.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.446 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.1 OUTLIER -146.98 167.01 25.08 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 122.156 -0.614 . . . . 25.0 110.47 -174.264 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.8 m -134.94 167.08 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.15 -0.932 . . . . 25.0 109.84 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -122.03 -173.98 2.78 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 104.773 -2.306 . . . . 25.0 104.773 172.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -52.4 -47.71 66.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.701 1.0 . . . . 25.0 113.701 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.49 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.2 tt0 -56.62 -47.18 80.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.75 0.705 . . . . 25.0 111.323 -177.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.71 -44.12 74.58 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 122.272 1.034 . . . . 25.0 108.648 -173.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -39.09 89.07 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.995 -1.002 . . . . 25.0 110.436 -176.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.9 t -71.46 -36.58 61.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 122.251 -0.281 . . . . 25.0 110.484 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 72' ' ' GLN . 59.7 t -58.34 -45.15 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 176.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 48.1 mt -69.45 -37.31 77.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.75 0.309 . . . . 25.0 111.433 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.0 t -63.4 -43.11 98.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.0 86.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.041 -0.412 . . . . 25.0 110.547 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.2 96.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.311 0.577 . . . . 25.0 110.392 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.04 -34.82 75.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.682 0.753 . . . . 25.0 109.711 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 44.6 m -64.93 -43.6 92.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.111 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.515 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.3 m -70.81 -21.96 22.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.668 0 CA-C-O 122.133 0.968 . . . . 25.0 108.727 171.727 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -58.82 -45.22 90.46 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.482 0.658 . . . . 25.0 111.634 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.415 HD12 HG11 ' B' ' 14' ' ' VAL . 2.7 tt -66.67 -39.73 88.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.047 0.927 . . . . 25.0 109.308 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -67.32 -36.38 81.34 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 121.448 -0.782 . . . . 25.0 111.205 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 p -71.52 -28.13 63.68 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.504 -0.478 . . . . 25.0 109.803 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.41 -46.91 84.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.9 mmm -71.87 -32.11 67.13 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -70.67 -25.54 63.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -66.01 -43.29 88.1 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 122.046 -0.409 . . . . 25.0 110.179 171.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.89 -36.09 76.21 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.83 -46.09 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.678 -0.49 . . . . 25.0 109.678 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.87 -48.5 81.17 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.189 0.518 . . . . 25.0 110.801 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.419 HG11 HD12 ' B' ' 4' ' ' LEU . 78.4 t -63.35 -43.66 98.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.556 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.62 -49.6 75.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.385 0.612 . . . . 25.0 109.907 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -59.1 -31.3 68.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.462 -0.79 . . . . 25.0 112.06 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.67 85.24 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.137 0.421 . . . . 25.0 112.137 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -90.39 -20.22 23.08 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.347 0.499 . . . . 25.0 112.347 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 114.121 1.156 . . . . 25.0 114.121 -176.602 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 109.909 -0.404 . . . . 25.0 109.909 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -119.84 160.19 23.12 Favored 'General case' 0 CA--C 1.509 -0.599 0 C-N-CA 123.891 0.876 . . . . 25.0 111.397 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 tp -142.71 128.64 19.52 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.782 -1.562 . . . . 25.0 106.782 170.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -64.27 146.87 53.64 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.816 -0.809 . . . . 25.0 108.816 -178.601 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -60.58 -41.33 94.42 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 113.396 0.887 . . . . 25.0 113.396 -174.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -28.46 69.42 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.821 -1.175 . . . . 25.0 110.251 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -81.59 -24.9 36.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.504 0.669 . . . . 25.0 109.525 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.44 HD11 ' HD1' ' A' ' 74' ' ' TYR . 8.7 tp -67.2 -37.02 82.94 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 173.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.629 ' HB2' HD11 ' A' ' 61' ' ' LEU . 31.7 ttpt -60.43 -33.58 72.73 Favored 'General case' 0 C--O 1.215 -0.757 0 C-N-CA 120.403 -0.519 . . . . 25.0 110.487 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -63.5 -48.16 78.74 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.31 -46.55 88.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.457 0.646 . . . . 25.0 109.311 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.35 -32.08 72.81 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.789 -0.642 . . . . 25.0 111.576 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -81.79 -22.82 36.93 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 122.965 0.506 . . . . 25.0 110.9 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.4 m -90.56 -51.59 5.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.88 -0.6 . . . . 25.0 111.896 -176.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -93.8 -42.93 8.85 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.438 0.532 . . . . 25.0 112.438 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.427 HD13 HD22 ' B' ' 4' ' ' LEU . 9.2 tp -86.58 10.18 16.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.649 0.738 . . . . 25.0 109.899 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -38.13 21.08 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 115.303 1.594 . . . . 25.0 115.303 174.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.18 -34.17 61.48 Favored Glycine 0 C--O 1.227 -0.305 0 C-N-CA 120.479 -0.867 . . . . 25.0 111.389 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -71.84 -30.45 65.49 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.695 -0.886 . . . . 25.0 109.086 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -70.43 -41.03 73.44 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 120.67 0.272 . . . . 25.0 110.594 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -66.51 -35.37 80.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.656 0.741 . . . . 25.0 110.781 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.65 42.22 1.27 Allowed 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.713 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -71.91 156.02 39.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.128 -0.942 . . . . 25.0 108.718 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -127.88 -53.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.406 0.622 . . . . 25.0 109.624 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.42 84.21 7.73 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.552 0.691 . . . . 25.0 109.48 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.7 m -61.63 -25.96 38.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.277 -0.874 . . . . 25.0 111.77 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -69.47 -39.71 77.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.219 0.533 . . . . 25.0 110.771 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.01 -37.81 25.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 p -64.71 -38.33 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 -176.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -79.24 -27.72 42.41 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.556 -0.747 . . . . 25.0 110.659 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -60.29 -38.41 83.53 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.507 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.52 -43.13 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.89 0.852 . . . . 25.0 108.759 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.2 mmt -68.2 -49.55 60.06 Favored 'General case' 0 CA--C 1.49 -1.328 0 CA-C-N 115.599 -0.728 . . . . 25.0 112.49 -175.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -35.7 81.39 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.981 -0.288 . . . . 25.0 110.374 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -60.39 -48.12 83.13 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.133 -0.691 . . . . 25.0 109.133 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -79.03 -21.49 46.82 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 119.237 -0.985 . . . . 25.0 110.905 -174.001 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.59 -27.48 67.76 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.951 0.405 . . . . 25.0 111.433 -177.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -107.1 -22.97 12.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.332 0.587 . . . . 25.0 111.588 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -96.64 16.25 19.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.865 0.84 . . . . 25.0 109.877 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.43 -18.3 63.12 Favored Glycine 0 C--O 1.216 -1.02 0 N-CA-C 115.701 1.04 . . . . 25.0 115.701 -170.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.96 5.43 50.12 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.759 0.79 . . . . 25.0 110.956 -169.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.35 -157.14 33.37 Favored Glycine 0 N--CA 1.42 -2.408 0 N-CA-C 104.88 -3.288 . . . . 25.0 104.88 173.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.0 pt-20 -148.41 164.29 34.57 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.49 165.48 24.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -115.39 -174.12 2.45 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.627 -1.62 . . . . 25.0 106.627 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.53 -47.54 66.63 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.053 0.76 . . . . 25.0 113.053 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.7 tt0 -54.75 -47.07 74.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 118.311 0.505 . . . . 25.0 110.906 -177.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.69 -41.65 62.35 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.896 0.855 . . . . 25.0 109.267 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.44 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -56.1 -40.61 73.96 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.318 -0.855 . . . . 25.0 109.914 178.677 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 77.1 t -72.15 -37.21 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 122.239 -0.288 . . . . 25.0 111.069 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 72' ' ' GLN . 62.5 t -57.82 -46.78 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 121.477 0.656 . . . . 25.0 109.262 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.68 -37.12 76.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.949 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.9 t -63.44 -43.79 98.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 175.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.38 85.82 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.065 -0.397 . . . . 25.0 110.665 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.16 98.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.33 0.586 . . . . 25.0 110.35 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 tt -68.56 -37.26 79.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 25.0 109.901 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.241 -0.436 . . . . 25.0 111.414 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.453 HG11 ' HB2' ' B' ' 72' ' ' GLN . 29.1 m -69.32 -26.8 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 119.167 0.894 . . . . 25.0 112.045 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.277 0 CA-C-O 121.789 0.804 . . . . 25.0 111.437 174.784 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 107.95 -1.13 . . . . 25.0 107.95 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.44 -43.69 96.58 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.354 0.597 . . . . 25.0 110.794 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.427 HD22 HD13 ' A' ' 41' ' ' LEU . 3.6 tt -65.68 -42.24 91.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.827 0.822 . . . . 25.0 109.607 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.58 -34.8 77.77 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.348 -0.845 . . . . 25.0 111.712 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.8 p -71.3 -28.24 63.97 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.186 -0.606 . . . . 25.0 109.841 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.79 83.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 175.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -71.12 -32.98 69.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -69.62 -26.24 64.33 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 109.381 -0.6 . . . . 25.0 109.381 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 58.5 m -65.64 -43.58 89.01 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 122.02 -0.425 . . . . 25.0 110.298 171.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.3 -36.06 77.01 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.141 -0.688 . . . . 25.0 109.141 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.52 -46.11 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -58.71 -50.77 72.67 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.149 0.5 . . . . 25.0 110.716 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.415 HG11 HD12 ' A' ' 4' ' ' LEU . 90.7 t -62.64 -43.01 98.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.427 -0.806 . . . . 25.0 111.455 -178.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.405 ' HB2' ' CE2' ' B' ' 74' ' ' TYR . 83.7 t80 -62.07 -48.86 78.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.827 -0.545 . . . . 25.0 110.627 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -63.45 -28.06 69.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 25.0 111.86 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.51 97.41 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.928 0.344 . . . . 25.0 111.928 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -92.38 -16.85 25.43 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.784 0.326 . . . . 25.0 111.269 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.2 m -63.56 150.77 43.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.241 0.543 . . . . 25.0 110.725 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.587 0 C-N-CA 120.95 -0.643 . . . . 25.0 113.994 -178.621 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm . . . . . 0 CA--C 1.511 -0.549 0 N-CA-C 108.104 -1.073 . . . . 25.0 108.104 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.71 130.33 34.04 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.411 ' HB2' ' HD3' ' B' ' 31' ' ' LYS . 0.4 OUTLIER -65.53 150.42 48.41 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.04 -0.355 . . . . 25.0 110.04 -178.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -66.9 -39.35 87.4 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 113.461 0.911 . . . . 25.0 113.461 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.411 ' HD3' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -65.13 -29.68 70.55 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.714 1.143 . . . . 25.0 109.677 178.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.91 -24.26 38.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.701 -0.681 . . . . 25.0 110.322 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.452 HD11 ' HD1' ' B' ' 74' ' ' TYR . 14.5 tp -65.51 -34.43 78.25 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.753 -0.592 . . . . 25.0 109.635 175.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -61.85 -32.55 72.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.291 -0.413 . . . . 25.0 110.593 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -65.48 -48.05 73.95 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.53 -46.24 87.21 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 mt -62.45 -31.86 72.64 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.641 -0.708 . . . . 25.0 112.149 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.89 -22.61 36.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.944 0.402 . . . . 25.0 111.165 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.5 m -91.12 -57.26 2.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.205 -175.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -84.21 -44.51 13.85 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.276 0.56 . . . . 25.0 111.568 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tp -88.69 11.9 16.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.989 -0.551 . . . . 25.0 111.984 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -35.58 9.1 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 174.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.76 -32.61 63.87 Favored Glycine 0 C--O 1.226 -0.386 0 C-N-CA 120.625 -0.797 . . . . 25.0 111.834 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -72.47 -28.72 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.664 -0.904 . . . . 25.0 108.745 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.08 -40.61 71.47 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -66.89 -30.73 70.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.717 0.77 . . . . 25.0 110.287 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.29 19.49 15.34 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.788 -0.642 . . . . 25.0 110.87 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -59.61 149.84 29.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.557 0.694 . . . . 25.0 110.444 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -132.51 -43.55 0.92 Allowed 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -83.76 89.11 7.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.475 0.655 . . . . 25.0 109.436 175.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -67.23 -23.43 30.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.757 -0.656 . . . . 25.0 111.168 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.3 -40.88 42.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.917 0.389 . . . . 25.0 110.053 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.15 -37.53 38.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.63 -38.3 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -80.17 -28.36 38.8 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.562 -0.745 . . . . 25.0 110.169 -176.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -59.58 -38.73 81.98 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 122.186 -0.321 . . . . 25.0 111.706 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.3 -42.78 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.802 0.81 . . . . 25.0 109.141 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.9 mmt -68.18 -46.6 70.22 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.592 -0.731 . . . . 25.0 111.75 -176.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -37.82 84.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.294 -0.412 . . . . 25.0 110.648 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -61.28 -46.08 91.83 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 109.097 -0.705 . . . . 25.0 109.097 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.412 HD12 ' C ' ' B' ' 61' ' ' LEU . 0.6 OUTLIER -76.51 -26.18 54.98 Favored 'General case' 0 C--O 1.201 -1.483 0 C-N-CA 118.614 -1.234 . . . . 25.0 108.9 -171.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.05 -20.86 66.31 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -100.66 -14.03 18.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.526 0.679 . . . . 25.0 110.513 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -112.67 15.15 20.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.454 -0.794 . . . . 25.0 110.417 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.83 -22.33 62.04 Favored Glycine 0 C--O 1.222 -0.612 0 N-CA-C 116.276 1.27 . . . . 25.0 116.276 -166.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -94.7 6.31 49.28 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 121.755 0.788 . . . . 25.0 111.18 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.17 -163.56 38.0 Favored Glycine 0 N--CA 1.409 -3.166 1 N-CA-C 102.237 -4.345 . . . . 25.0 102.237 170.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -149.39 162.32 40.33 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 114.91 -0.645 . . . . 25.0 109.315 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.93 167.44 26.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.074 -0.967 . . . . 25.0 108.938 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -117.95 -174.22 2.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.738 -1.949 . . . . 25.0 105.738 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -52.38 -48.28 65.71 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.453 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.7 tt0 -53.4 -49.15 67.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.968 0.349 . . . . 25.0 110.979 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -73.46 -41.96 62.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.512 0.673 . . . . 25.0 110.033 -173.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.452 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -56.72 -39.95 74.8 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.304 179.438 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.7 t -71.33 -37.64 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 122.392 -0.192 . . . . 25.0 110.773 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.5 -44.67 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.365 0.602 . . . . 25.0 109.888 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.63 -36.3 73.37 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.284 0.564 . . . . 25.0 110.549 -177.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.93 -43.81 99.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.009 -0.737 . . . . 25.0 109.009 174.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.46 83.61 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.963 -0.46 . . . . 25.0 111.36 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.68 98.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.29 0.566 . . . . 25.0 110.294 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -35.1 73.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.347 0.594 . . . . 25.0 109.723 177.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.1 m -60.42 -45.22 94.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.264 -0.425 . . . . 25.0 110.772 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.468 HG11 ' HB2' ' A' ' 72' ' ' GLN . 30.2 m -72.78 -26.14 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 120.943 -1.098 . . . . 25.0 112.015 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 122.095 0.95 . . . . 25.0 109.614 174.126 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.239 0.532 0 N-CA-C 110.548 -0.167 . . . . 25.0 110.548 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -61.37 -44.46 97.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.953 0.406 . . . . 25.0 111.001 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.406 HD22 HD13 ' B' ' 41' ' ' LEU . 1.9 tt -66.96 -41.27 87.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.884 0.849 . . . . 25.0 110.379 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -63.91 -36.8 85.12 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.571 -0.706 . . . . 25.0 111.373 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.2 p -74.61 -29.83 61.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.614 -0.435 . . . . 25.0 110.45 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.92 95.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.4 mmm -72.82 -32.12 65.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.018 0.747 . . . . 25.0 113.018 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -68.21 -29.2 67.99 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.691 -0.855 . . . . 25.0 108.691 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.2 m -62.59 -44.41 96.39 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.923 0.392 . . . . 25.0 110.69 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.24 -36.22 79.4 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.916 -0.49 . . . . 25.0 110.254 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.5 mt -65.47 -46.06 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 109.133 -0.692 . . . . 25.0 109.133 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -58.31 -45.77 87.41 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.271 0.557 . . . . 25.0 111.528 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.525 HG11 HD12 ' B' ' 4' ' ' LEU . 86.1 t -65.69 -41.76 91.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.816 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -61.51 -43.97 97.91 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.783 -0.573 . . . . 25.0 109.904 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -69.46 -19.16 63.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.62 65.75 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 111.932 0.345 . . . . 25.0 111.932 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -116.43 -12.51 11.04 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.8 p . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 121.449 0.642 . . . . 25.0 112.167 -175.78 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 120.662 0.268 . . . . 25.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -125.02 149.15 48.05 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.148 0.499 . . . . 25.0 110.167 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.7 tp -140.89 135.67 31.54 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 107.176 -1.416 . . . . 25.0 107.176 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.445 ' HB2' ' HD3' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -66.34 152.7 44.45 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.977 -0.289 . . . . 25.0 110.943 178.262 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -64.34 -43.08 95.74 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.193 0.812 . . . . 25.0 113.193 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HD3' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -64.74 -31.65 72.97 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.105 0.866 . . . . 25.0 110.079 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -76.68 -27.4 55.55 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.541 -0.754 . . . . 25.0 109.769 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.444 HD22 HG21 ' A' ' 69' ' ' VAL . 14.2 tp -67.38 -32.95 74.21 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.82 -0.55 . . . . 25.0 110.375 176.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.584 ' HB2' HD11 ' A' ' 61' ' ' LEU . 32.1 ttpt -58.54 -33.91 70.41 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 120.656 -0.418 . . . . 25.0 110.561 177.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.03 -48.43 76.36 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt -59.44 -46.16 89.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.047 -0.723 . . . . 25.0 109.047 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.98 -31.89 73.11 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 121.175 0.512 . . . . 25.0 111.736 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -81.98 -22.18 36.72 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 122.038 -0.414 . . . . 25.0 111.372 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.7 m -97.11 -59.54 1.77 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.826 -0.625 . . . . 25.0 112.313 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -84.57 -28.96 26.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.538 0.57 . . . . 25.0 112.538 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.415 HD13 HD22 ' B' ' 4' ' ' LEU . 13.8 tp -98.55 7.23 46.41 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 177.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -42.88 -41.67 3.39 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 116.173 1.916 . . . . 25.0 116.173 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.58 -30.19 76.02 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 119.915 -1.136 . . . . 25.0 112.786 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -76.83 -23.48 52.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.604 -0.939 . . . . 25.0 109.955 176.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.04 -35.48 49.65 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -67.12 -30.79 70.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.724 0.773 . . . . 25.0 109.78 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.97 21.42 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.551 -0.75 . . . . 25.0 111.282 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -60.31 151.54 27.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.964 0.411 . . . . 25.0 110.606 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -132.45 -53.95 0.95 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.116 0.484 . . . . 25.0 110.598 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -80.04 84.05 5.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.431 ' HA ' HG12 ' A' ' 54' ' ' VAL . 30.2 m -63.52 -29.95 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.29 -0.414 . . . . 25.0 111.766 -175.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.56 -36.83 83.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.257 0.551 . . . . 25.0 109.651 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.21 -37.63 25.75 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 51' ' ' VAL . 5.8 p -68.44 -39.9 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 -175.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -80.09 -26.47 39.54 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.14 0.495 . . . . 25.0 110.174 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -55.09 -47.26 75.17 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.381 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.14 -39.92 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.66 -50.76 56.22 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 115.839 -0.619 . . . . 25.0 111.97 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -37.29 85.27 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.627 -0.429 . . . . 25.0 110.706 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.61 -40.93 98.51 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.237 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.69 -24.03 45.29 Favored 'General case' 0 C--O 1.205 -1.254 0 C-N-CA 119.21 -0.996 . . . . 25.0 110.552 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.43 -26.12 68.33 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.111 -0.368 . . . . 25.0 111.625 -177.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -100.04 -24.87 14.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.53 0.681 . . . . 25.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -96.92 15.8 21.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.817 -0.628 . . . . 25.0 110.016 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.04 -20.88 69.3 Favored Glycine 0 C--O 1.218 -0.872 0 N-CA-C 115.915 1.126 . . . . 25.0 115.915 -167.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.0 7.68 36.35 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 122.037 0.922 . . . . 25.0 110.428 -172.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.75 -159.26 35.27 Favored Glycine 0 N--CA 1.417 -2.584 0 N-CA-C 104.215 -3.554 . . . . 25.0 104.215 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -151.54 166.38 31.35 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 122.132 -0.628 . . . . 25.0 110.509 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.444 HG21 HD22 ' A' ' 33' ' ' LEU . 3.2 m -138.34 171.48 15.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.963 -1.017 . . . . 25.0 110.355 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -126.2 -174.08 3.02 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.934 -2.247 . . . . 25.0 104.934 174.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -52.86 -47.7 67.6 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.446 0.906 . . . . 25.0 113.446 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.537 ' HB2' HG11 ' B' ' 83' ' ' VAL . 62.3 tt0 -54.56 -47.86 72.74 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.497 0.589 . . . . 25.0 110.917 -177.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -71.41 -41.08 70.0 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.785 0.802 . . . . 25.0 109.445 -173.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -39.88 86.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.265 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.6 t -71.39 -36.73 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 122.275 -0.266 . . . . 25.0 110.527 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.9 t -59.38 -43.98 91.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -70.06 -37.24 75.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.887 0.375 . . . . 25.0 111.236 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.9 t -62.7 -42.88 97.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.12 81.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.051 -0.406 . . . . 25.0 110.706 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.5 94.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.454 0.645 . . . . 25.0 110.099 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.18 -35.92 71.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.382 0.61 . . . . 25.0 109.968 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.4 m -60.85 -46.98 88.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.975 -0.453 . . . . 25.0 109.923 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.495 HG11 ' HB2' ' B' ' 72' ' ' GLN . 35.2 m -67.07 -19.03 25.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 114.011 1.115 . . . . 25.0 114.011 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.94 0 CA-C-O 122.026 0.917 . . . . 25.0 111.801 168.632 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 C--O 1.242 0.687 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.02 -29.87 70.81 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 120.423 -0.511 . . . . 25.0 109.763 175.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.525 HD12 HG11 ' A' ' 14' ' ' VAL . 1.5 tt -67.45 -43.76 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.615 0.722 . . . . 25.0 109.899 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.19 -41.06 97.26 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.451 -0.781 . . . . 25.0 110.314 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 35.4 p -72.71 -28.86 62.92 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.614 -0.434 . . . . 25.0 110.32 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.57 89.44 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 174.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.5 mmm -71.83 -30.22 65.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.3 -29.05 66.82 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.801 -0.814 . . . . 25.0 108.801 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -64.47 -42.72 95.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.343 -0.389 . . . . 25.0 110.196 173.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.77 -34.52 74.6 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -67.67 -44.74 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -60.34 -49.03 79.21 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.262 0.553 . . . . 25.0 110.442 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 74.4 t -63.13 -43.32 98.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.42 -0.809 . . . . 25.0 111.205 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.52 -42.86 88.65 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 121.739 -0.6 . . . . 25.0 109.415 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -70.66 -14.16 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.04 77.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.77 -0.372 . . . . 25.0 110.478 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -107.26 -16.17 14.47 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.8 p -59.42 154.23 17.45 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.678 0.622 . . . . 25.0 112.678 -176.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.272 0 N-CA-C 114.978 0.751 . . . . 25.0 114.978 176.617 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 121.059 0.457 . . . . 25.0 111.89 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.7 tp -146.81 132.11 18.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -63.51 147.15 52.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.084 0.402 . . . . 25.0 110.322 177.711 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -62.11 -43.33 99.06 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.715 1.005 . . . . 25.0 113.715 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -29.41 70.42 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.643 0.656 . . . . 25.0 110.242 -178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.01 -24.94 47.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.418 -0.81 . . . . 25.0 109.96 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.521 HD11 ' HD1' ' B' ' 74' ' ' TYR . 35.1 tp -71.05 -26.15 62.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.738 -0.601 . . . . 25.0 110.595 175.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.493 ' HB2' HD11 ' B' ' 61' ' ' LEU . 34.9 ttpt -63.18 -33.54 75.71 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 119.839 -0.744 . . . . 25.0 109.633 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.64 -45.13 95.25 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.77 -43.88 95.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.909 -0.587 . . . . 25.0 110.157 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mp -65.19 -27.38 68.66 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.68 0.752 . . . . 25.0 111.555 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.89 -21.49 37.4 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 123.551 0.74 . . . . 25.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 32.8 m -105.77 -60.72 1.6 Allowed 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.43 -20.7 31.39 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.909 0.861 . . . . 25.0 112.327 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.406 HD13 HD22 ' A' ' 4' ' ' LEU . 11.9 tp -110.06 10.26 24.08 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.671 -1.15 . . . . 25.0 109.682 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.69 -37.06 58.32 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.149 1.537 . . . . 25.0 115.149 177.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.69 -30.36 70.73 Favored Glycine 0 C--O 1.221 -0.673 0 O-C-N 121.461 -0.774 . . . . 25.0 111.424 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -79.18 -27.94 42.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.805 -0.821 . . . . 25.0 108.891 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 20.9 tp -68.53 -41.35 80.03 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 121.305 0.574 . . . . 25.0 109.467 177.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.61 -30.86 70.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.691 0.757 . . . . 25.0 110.914 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.12 30.49 2.44 Favored 'General case' 0 C--O 1.246 0.87 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.94 151.35 47.25 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.813 -1.18 . . . . 25.0 107.813 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -133.11 -52.18 0.9 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.158 -1.423 . . . . 25.0 107.158 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -82.02 91.94 6.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.749 -1.114 . . . . 25.0 109.789 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.2 m -66.43 -24.15 32.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.898 -0.592 . . . . 25.0 111.637 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -76.71 -40.65 48.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.106 0.479 . . . . 25.0 110.221 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.84 -38.61 37.53 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.36 -37.56 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.35 -27.32 38.32 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.79 -0.641 . . . . 25.0 110.662 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -58.8 -37.19 75.79 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 121.033 -0.267 . . . . 25.0 111.246 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.04 -43.73 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.89 0.853 . . . . 25.0 109.441 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.7 mmt -70.63 -45.87 64.4 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.844 -175.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -34.95 79.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.491 -0.189 . . . . 25.0 110.491 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -59.89 -48.36 82.01 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -80.35 -18.48 48.95 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 119.232 -0.987 . . . . 25.0 111.297 -174.332 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.43 -29.99 68.16 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.998 0.428 . . . . 25.0 111.271 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -107.03 -22.65 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.362 0.601 . . . . 25.0 111.788 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -97.28 9.98 40.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.789 0.804 . . . . 25.0 110.968 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.37 -21.73 60.28 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 116.877 1.511 . . . . 25.0 116.877 -169.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -91.32 2.61 56.26 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.637 0.732 . . . . 25.0 110.847 -170.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.59 -159.84 35.48 Favored Glycine 0 N--CA 1.421 -2.348 0 N-CA-C 104.591 -3.404 . . . . 25.0 104.591 173.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 12.5 pt-20 -150.08 158.15 43.86 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 -176.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -135.93 167.96 23.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.495 -0.775 . . . . 25.0 109.609 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -117.97 -174.09 2.57 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.062 -1.459 . . . . 25.0 107.062 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -52.3 -48.04 65.57 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 113.585 0.957 . . . . 25.0 113.585 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.495 ' HB2' HG11 ' A' ' 83' ' ' VAL . 62.5 tt0 -55.82 -47.53 77.04 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.523 0.601 . . . . 25.0 110.892 -177.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -72.32 -38.42 68.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.028 0.918 . . . . 25.0 109.946 -173.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.521 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -60.73 -41.09 94.64 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.365 -0.834 . . . . 25.0 109.76 178.609 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 73.7 t -71.33 -35.44 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 122.359 -0.213 . . . . 25.0 110.584 -178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 72' ' ' GLN . 62.0 t -58.25 -45.82 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 109.376 -0.602 . . . . 25.0 109.376 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.4 mt -69.86 -36.48 75.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.087 0.47 . . . . 25.0 111.092 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 t -63.68 -44.75 98.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.876 -0.416 . . . . 25.0 109.876 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.7 88.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.142 -0.349 . . . . 25.0 110.165 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.91 98.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.333 0.587 . . . . 25.0 110.659 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.6 -33.45 72.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.467 0.651 . . . . 25.0 110.114 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 48.5 m -66.83 -43.41 83.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.191 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 72' ' ' GLN . 28.4 m -69.72 -23.88 26.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 O-C-N 121.006 -1.059 . . . . 25.0 111.58 176.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.805 0 O-C-N 121.632 -0.668 . . . . 25.0 110.798 171.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.232 0.15 0 N-CA-C 107.194 -1.41 . . . . 25.0 107.194 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.91 -38.1 81.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.316 0.579 . . . . 25.0 110.783 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.436 HD12 HG11 ' B' ' 14' ' ' VAL . 2.1 tt -64.54 -40.67 96.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.755 0.788 . . . . 25.0 110.599 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -66.36 -38.04 86.66 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.335 -0.853 . . . . 25.0 111.525 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 p -72.16 -30.21 64.77 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.697 -0.401 . . . . 25.0 109.952 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.47 96.69 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.5 mmm -71.45 -31.04 66.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -69.17 -28.35 66.34 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 119.971 -0.692 . . . . 25.0 109.981 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -61.35 -44.03 97.87 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 122.05 -0.406 . . . . 25.0 110.079 172.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.66 -36.17 82.95 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.562 -0.532 . . . . 25.0 109.562 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.41 -48.76 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -57.29 -51.9 67.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.458 0.17 . . . . 25.0 110.771 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.06 -34.09 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-N 115.915 -0.584 . . . . 25.0 112.438 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.52 -49.25 78.5 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.402 -0.811 . . . . 25.0 109.797 172.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -72.85 -14.13 61.43 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -176.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.21 -48.01 69.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.847 -0.427 . . . . 25.0 109.847 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -83.78 -20.33 33.49 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.541 -0.299 . . . . 25.0 111.198 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 CA--C 1.494 -1.191 0 CA-C-O 122.301 1.048 . . . . 25.0 109.03 178.428 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 107.103 -1.443 . . . . 25.0 107.103 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -125.87 154.88 42.08 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.11 136.15 51.72 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 104.585 -2.376 . . . . 25.0 104.585 172.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.66 151.98 45.25 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 119.469 -0.892 . . . . 25.0 109.494 176.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -63.3 -40.25 96.83 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 118.562 0.619 . . . . 25.0 112.594 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -29.32 69.84 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.631 1.105 . . . . 25.0 110.707 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -80.27 -25.1 39.64 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.798 -0.637 . . . . 25.0 110.169 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.421 HD11 ' HD1' ' A' ' 74' ' ' TYR . 18.6 tp -63.61 -35.06 79.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.173 0.511 . . . . 25.0 110.109 176.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB2' HD11 ' A' ' 61' ' ' LEU . 35.1 ttpt -58.91 -36.14 74.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.903 -0.589 . . . . 25.0 110.549 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.31 -46.62 82.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.06 -46.41 89.64 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -62.45 -32.04 72.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.368 0.604 . . . . 25.0 111.132 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -81.73 -19.62 41.03 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 122.862 0.465 . . . . 25.0 111.869 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.7 m -102.15 -52.3 3.18 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.895 0.702 . . . . 25.0 112.895 -176.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -97.26 -16.63 20.25 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 -172.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.43 HD13 HD22 ' B' ' 4' ' ' LEU . 14.8 tp -115.73 11.0 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.137 -1.061 . . . . 25.0 108.137 176.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.87 -38.41 22.39 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.666 1.728 . . . . 25.0 115.666 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.34 -29.53 68.2 Favored Glycine 0 C--O 1.226 -0.37 0 O-C-N 121.682 -0.636 . . . . 25.0 112.182 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -77.34 -29.4 53.44 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.27 -1.011 . . . . 25.0 108.27 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -40.33 77.27 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.33 -30.55 70.97 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.677 0.751 . . . . 25.0 111.049 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.45 24.77 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.382 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -62.86 151.62 38.59 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.424 0.631 . . . . 25.0 110.974 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -124.15 -48.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -86.99 87.07 7.37 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.103 -0.702 . . . . 25.0 109.103 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.4 ' HA ' HG12 ' A' ' 54' ' ' VAL . 35.7 m -63.54 -29.91 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.648 -0.706 . . . . 25.0 110.728 -177.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.13 -39.11 82.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.264 0.554 . . . . 25.0 109.982 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.96 -41.52 25.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.427 0.528 . . . . 25.0 112.427 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' A' ' 51' ' ' VAL . 8.7 p -64.79 -39.79 86.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.874 -0.788 . . . . 25.0 108.874 -176.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -80.33 -28.25 38.19 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.158 -0.473 . . . . 25.0 111.207 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -58.3 -40.55 82.28 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.557 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.83 -42.55 86.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.2 mmt -67.08 -49.28 65.57 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 116.229 -0.442 . . . . 25.0 112.103 -176.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -36.39 81.38 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.576 -0.449 . . . . 25.0 110.524 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.93 -40.97 97.68 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.456 -0.498 . . . . 25.0 110.248 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -77.3 -24.61 50.92 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 119.069 -1.052 . . . . 25.0 109.891 -179.22 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.18 -26.62 67.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.951 0.405 . . . . 25.0 111.92 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -104.07 -11.27 17.45 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.406 0.622 . . . . 25.0 110.973 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -111.83 15.55 20.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.717 -0.674 . . . . 25.0 110.128 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.56 -20.84 64.15 Favored Glycine 0 C--O 1.223 -0.586 0 N-CA-C 116.44 1.336 . . . . 25.0 116.44 -168.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -92.84 9.06 36.89 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.884 0.849 . . . . 25.0 110.783 -173.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.82 -165.75 34.42 Favored Glycine 0 N--CA 1.414 -2.767 1 N-CA-C 102.707 -4.157 . . . . 25.0 102.707 170.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -143.79 168.18 20.54 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 122.465 -0.432 . . . . 25.0 109.946 -175.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.41 162.2 33.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -113.43 -174.26 2.43 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.636 -1.616 . . . . 25.0 106.636 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -53.72 -46.8 70.93 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.495 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.4 tt0 -56.71 -47.68 79.39 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.633 0.651 . . . . 25.0 111.048 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.03 -43.36 74.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.353 1.073 . . . . 25.0 109.193 -173.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.421 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -58.8 -41.72 87.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.773 -1.103 . . . . 25.0 109.86 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 73.8 t -71.34 -36.66 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 122.189 -0.319 . . . . 25.0 111.087 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.1 t -56.75 -44.76 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 109.063 -0.717 . . . . 25.0 109.063 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.8 mt -72.89 -35.72 67.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.087 -0.506 . . . . 25.0 111.664 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.89 -43.68 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.152 -0.685 . . . . 25.0 109.152 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.98 84.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.118 -0.363 . . . . 25.0 110.634 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.47 -43.7 96.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.17 0.51 . . . . 25.0 110.449 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.63 -36.28 80.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.359 0.599 . . . . 25.0 109.561 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 79.2 m -61.43 -45.15 95.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.117 -0.492 . . . . 25.0 111.207 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.4 m -72.92 -28.27 26.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 O-C-N 120.861 -1.15 . . . . 25.0 111.575 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.342 0 CA-C-O 121.25 0.548 . . . . 25.0 110.907 175.587 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.232 0.173 0 N-CA-C 108.388 -0.967 . . . . 25.0 108.388 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.07 -33.87 76.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.354 0.597 . . . . 25.0 109.67 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.43 HD22 HD13 ' A' ' 41' ' ' LEU . 4.2 tt -63.66 -41.71 98.16 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.772 0.796 . . . . 25.0 110.561 176.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.44 -38.2 84.16 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.449 -0.782 . . . . 25.0 110.785 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 5.6 p -72.99 -25.78 61.11 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.629 -0.428 . . . . 25.0 110.595 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.84 96.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.0 mmm -70.6 -31.44 68.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.263 0.468 . . . . 25.0 112.263 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.27 -26.9 64.04 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.4 -0.813 . . . . 25.0 109.805 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 34.0 m -63.11 -43.88 97.22 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.11 -37.5 85.32 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.13 -47.3 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -58.74 -48.06 82.5 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 121.176 -0.21 . . . . 25.0 110.952 -177.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.436 HG11 HD12 ' A' ' 4' ' ' LEU . 79.0 t -62.28 -46.45 96.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.932 0.396 . . . . 25.0 110.475 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -61.95 -47.83 83.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.434 0.635 . . . . 25.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -65.93 -26.84 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 25.0 112.478 -175.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.54 94.41 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.812 0.339 . . . . 25.0 111.208 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -88.38 -20.92 24.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.728 -0.214 . . . . 25.0 111.358 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -62.1 157.89 17.98 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.24 1.2 . . . . 25.0 114.24 -175.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.349 0 CA-C-N 115.181 -0.918 . . . . 25.0 113.419 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp . . . . . 0 C--O 1.247 0.958 0 CA-C-O 122.27 1.033 . . . . 25.0 108.34 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.88 133.43 35.77 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 113.22 -1.809 . . . . 25.0 106.489 174.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.74 153.03 44.31 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.614 -0.679 . . . . 25.0 110.69 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -64.44 -41.54 96.49 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -32.07 73.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.948 1.249 . . . . 25.0 110.458 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -72.86 -29.39 63.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.318 -0.855 . . . . 25.0 109.717 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.476 HD22 HG21 ' B' ' 69' ' ' VAL . 14.9 tp -64.97 -30.49 71.48 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.858 -0.61 . . . . 25.0 111.559 178.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.535 ' HB2' HD11 ' B' ' 61' ' ' LEU . 34.1 ttpt -62.83 -37.11 85.49 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 120.436 -0.506 . . . . 25.0 110.038 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.58 -45.13 88.35 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.672 . . . . 25.0 109.184 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.86 -46.67 88.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.02 -0.536 . . . . 25.0 109.955 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 64.5 mt -64.39 -29.08 70.15 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.417 0.627 . . . . 25.0 111.815 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -81.81 -17.74 46.46 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 123.472 0.709 . . . . 25.0 110.981 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -102.4 -59.19 1.74 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.737 -0.665 . . . . 25.0 112.363 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -86.03 -20.49 28.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.904 0.705 . . . . 25.0 112.904 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.451 ' HG ' ' HB2' ' B' ' 44' ' ' PHE . 8.5 tp -113.4 14.36 19.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.826 0.822 . . . . 25.0 109.211 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -49.93 -40.28 42.91 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 116.362 1.986 . . . . 25.0 116.362 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.42 -31.19 61.32 Favored Glycine 0 C--O 1.228 -0.244 0 O-C-N 121.155 -0.966 . . . . 25.0 111.247 -178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.451 ' HB2' ' HG ' ' B' ' 41' ' ' LEU . 4.7 m-30 -70.1 -25.95 63.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.884 -0.774 . . . . 25.0 109.072 175.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.66 -39.75 36.02 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 122.558 0.343 . . . . 25.0 110.534 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.19 -32.2 73.76 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.944 0.878 . . . . 25.0 110.881 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.92 19.85 12.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.767 -0.651 . . . . 25.0 111.216 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -58.79 153.51 16.78 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 120.948 0.404 . . . . 25.0 111.584 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -130.13 -50.83 1.11 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -81.61 88.47 6.22 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.35 -27.99 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.999 0.428 . . . . 25.0 110.913 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.09 -40.03 71.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.393 0.616 . . . . 25.0 109.931 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.75 -37.28 49.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.244 -0.435 . . . . 25.0 111.735 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 p -65.96 -38.41 82.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.536 -0.913 . . . . 25.0 108.536 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -80.46 -27.38 37.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.009 -0.541 . . . . 25.0 111.073 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -35.29 68.72 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 175.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -76.8 -43.83 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.275 0.56 . . . . 25.0 110.041 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.8 mmt -68.63 -50.81 48.46 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.27 -35.68 81.62 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.59 -0.444 . . . . 25.0 110.356 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -62.44 -43.5 98.67 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.583 -0.447 . . . . 25.0 110.469 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -76.9 -23.17 52.56 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 119.51 -0.876 . . . . 25.0 109.648 -178.15 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -63.93 -25.46 68.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.979 0.419 . . . . 25.0 110.966 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -101.66 -20.37 15.04 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.477 0.656 . . . . 25.0 110.826 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -103.73 14.34 31.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.899 -0.592 . . . . 25.0 110.652 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.42 -22.31 63.33 Favored Glycine 0 C--O 1.224 -0.491 0 N-CA-C 115.984 1.154 . . . . 25.0 115.984 -169.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -89.32 4.53 48.55 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.768 0.794 . . . . 25.0 110.166 -174.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.64 -160.87 36.61 Favored Glycine 0 N--CA 1.42 -2.369 0 N-CA-C 104.553 -3.419 . . . . 25.0 104.553 171.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -147.8 171.14 16.17 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 122.303 -0.528 . . . . 25.0 109.779 -177.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.476 HG21 HD22 ' B' ' 33' ' ' LEU . 2.4 m -138.8 165.06 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 177.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.96 -174.13 2.7 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 104.349 -2.463 . . . . 25.0 104.349 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -52.99 -47.28 68.35 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.183 0.808 . . . . 25.0 113.183 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.423 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.7 tt0 -55.03 -48.78 72.94 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.103 0.411 . . . . 25.0 111.176 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -69.33 -43.62 73.35 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.96 0.886 . . . . 25.0 109.844 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -39.77 86.14 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.128 -0.942 . . . . 25.0 110.124 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.61 -37.29 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 122.132 -0.355 . . . . 25.0 110.746 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.43 -43.61 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 121.082 0.468 . . . . 25.0 109.758 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 38.1 mt -70.29 -36.96 74.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.013 0.435 . . . . 25.0 111.179 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.09 -43.49 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.77 82.19 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.954 -0.466 . . . . 25.0 111.151 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.52 98.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.623 0.725 . . . . 25.0 110.103 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -33.48 72.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.465 0.65 . . . . 25.0 109.827 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.1 m -64.32 -44.88 90.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.215 -0.448 . . . . 25.0 110.894 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.476 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.3 m -71.23 -23.74 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.216 -0.927 . . . . 25.0 112.509 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.798 0 CA-C-O 121.736 0.779 . . . . 25.0 111.282 172.366 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 C--O 1.237 0.414 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.79 -42.41 99.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.0 0.429 . . . . 25.0 110.6 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.436 HD22 HD13 ' B' ' 41' ' ' LEU . 3.4 tt -64.45 -41.84 96.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.839 0.828 . . . . 25.0 109.779 177.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.84 -36.4 82.24 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.345 -0.847 . . . . 25.0 112.014 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 p -71.76 -27.04 62.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.177 -0.609 . . . . 25.0 109.627 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.19 85.87 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 174.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.9 mmm -71.26 -32.23 68.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.224 0.824 . . . . 25.0 113.224 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -70.21 -25.3 63.34 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.0 m -66.51 -43.05 86.37 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 122.05 -0.406 . . . . 25.0 110.413 171.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.49 -35.72 76.61 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.62 -49.44 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -57.26 -50.18 73.7 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.208 0.527 . . . . 25.0 110.999 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.55 -0.75 . . . . 25.0 112.184 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.41 -48.54 80.74 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.737 -0.602 . . . . 25.0 110.546 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -71.75 -14.22 61.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.83 62.33 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 122.114 -0.366 . . . . 25.0 110.286 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -83.25 -19.32 36.6 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.4 ' HA ' HD13 ' A' ' 28' ' ' LEU . 61.7 m . . . . . 0 N--CA 1.469 0.479 0 O-C-N 123.415 0.447 . . . . 25.0 111.705 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 . . . . . 0 N--CA 1.462 0.146 0 N-CA-C 107.889 -1.152 . . . . 25.0 107.889 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -135.61 158.59 43.99 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.628 -0.714 . . . . 25.0 109.527 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 19' ' ' SER . 25.5 tp -147.71 137.19 22.51 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.098 0.249 . . . . 25.0 110.563 178.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.78 148.49 50.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.993 -0.442 . . . . 25.0 110.353 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -59.01 -43.08 91.48 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 114.282 1.215 . . . . 25.0 114.282 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -30.51 70.65 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.393 0.997 . . . . 25.0 110.282 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -77.78 -23.56 49.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.385 -0.825 . . . . 25.0 109.419 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.516 HD22 HG21 ' A' ' 69' ' ' VAL . 20.8 tp -70.95 -35.54 72.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.2 -0.454 . . . . 25.0 110.556 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.467 ' HB2' HD11 ' A' ' 61' ' ' LEU . 32.9 ttpt -58.21 -34.51 70.48 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 120.886 -0.326 . . . . 25.0 110.455 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -60.34 -49.03 79.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.41 -46.99 85.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.506 0.67 . . . . 25.0 109.301 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.84 -31.88 73.21 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.783 -0.644 . . . . 25.0 111.889 -178.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -81.81 -22.4 37.12 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 123.066 0.546 . . . . 25.0 110.929 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.2 m -89.75 -56.53 3.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.898 -0.592 . . . . 25.0 110.81 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -84.63 -42.05 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.096 0.406 . . . . 25.0 112.096 -176.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.84 13.13 21.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.163 0.506 . . . . 25.0 111.817 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.35 -35.21 5.2 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.915 1.45 . . . . 25.0 114.915 172.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.28 -35.11 57.09 Favored Glycine 0 C--O 1.228 -0.23 0 C-N-CA 120.588 -0.815 . . . . 25.0 112.268 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -71.33 -30.08 65.77 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.34 -42.27 75.54 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.275 -0.42 . . . . 25.0 110.199 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.46 -30.55 70.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.627 0.727 . . . . 25.0 111.128 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.05 28.67 6.54 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.799 -0.637 . . . . 25.0 111.071 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.52 152.67 37.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.118 0.485 . . . . 25.0 110.079 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -126.99 -50.5 1.45 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.91 88.59 5.3 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.09 -25.47 35.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.987 -0.551 . . . . 25.0 110.042 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.79 -40.76 69.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.12 -36.15 48.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.354 0.502 . . . . 25.0 112.354 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.16 -39.69 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 107.818 -1.179 . . . . 25.0 107.818 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -80.32 -28.81 38.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.521 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -33.86 65.64 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 177.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.0 t -82.74 -45.56 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.411 -0.516 . . . . 25.0 110.421 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.6 mmt -66.83 -50.24 63.21 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 112.94 0.718 . . . . 25.0 112.94 -174.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -36.64 84.78 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.849 -0.34 . . . . 25.0 110.3 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.49 -42.09 96.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.614 -0.266 . . . . 25.0 110.721 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.04 -25.78 48.0 Favored 'General case' 0 C--O 1.201 -1.481 0 C-N-CA 119.161 -1.016 . . . . 25.0 109.587 -176.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.02 -21.89 66.91 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.623 0.601 . . . . 25.0 112.623 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -96.57 -26.77 15.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.725 0.774 . . . . 25.0 109.8 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -98.85 15.13 26.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.343 -0.844 . . . . 25.0 110.908 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.29 -21.13 66.02 Favored Glycine 0 C--O 1.217 -0.945 0 N-CA-C 116.201 1.241 . . . . 25.0 116.201 -166.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -89.64 5.29 46.4 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.742 0.782 . . . . 25.0 110.714 -173.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.11 -156.26 30.33 Favored Glycine 0 N--CA 1.416 -2.636 0 N-CA-C 104.783 -3.327 . . . . 25.0 104.783 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.81 167.34 29.98 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 122.279 -0.542 . . . . 25.0 110.184 -173.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.516 HG21 HD22 ' A' ' 33' ' ' LEU . 3.6 m -140.74 170.4 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.885 -1.052 . . . . 25.0 109.532 -179.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -124.38 -174.15 2.94 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.512 -1.662 . . . . 25.0 106.512 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -52.13 -48.91 64.62 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.539 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.4 tt0 -54.95 -47.43 74.51 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.705 0.684 . . . . 25.0 110.778 -177.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -46.41 72.51 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 122.223 1.011 . . . . 25.0 108.855 -174.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -39.45 80.86 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.878 -1.055 . . . . 25.0 111.364 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.1 t -71.39 -36.98 63.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 121.182 -0.207 . . . . 25.0 110.679 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.442 HG22 HG22 ' B' ' 76' ' ' VAL . 53.3 t -61.5 -43.21 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.091 0.472 . . . . 25.0 109.84 177.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.1 mt -70.11 -36.25 74.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.102 0.477 . . . . 25.0 110.674 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.04 -44.18 99.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.0 82.47 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.024 -0.422 . . . . 25.0 111.553 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.2 99.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.348 0.594 . . . . 25.0 110.459 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -35.39 72.59 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.313 -0.555 . . . . 25.0 109.505 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.6 m -58.92 -45.44 90.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.156 -0.34 . . . . 25.0 110.902 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' B' ' 72' ' ' GLN . 30.0 m -73.84 -24.2 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 119.15 0.886 . . . . 25.0 113.068 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.408 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 174.193 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.9 p . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -60.21 -43.72 95.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.275 0.559 . . . . 25.0 110.669 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 tt -67.35 -41.82 84.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.522 0.677 . . . . 25.0 109.772 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.72 -34.36 77.67 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 121.263 -0.898 . . . . 25.0 111.149 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -71.55 -28.36 63.81 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.111 -0.636 . . . . 25.0 110.309 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.03 86.74 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 174.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.7 mmm -71.42 -33.51 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.364 0.876 . . . . 25.0 113.364 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.68 -28.45 66.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 59.5 m -64.08 -44.94 90.82 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 122.155 -0.34 . . . . 25.0 110.461 171.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.97 -36.78 77.87 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.43 -46.84 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.41 -45.81 87.69 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.371 0.605 . . . . 25.0 111.002 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.43 HG11 HD12 ' A' ' 4' ' ' LEU . 78.8 t -64.88 -44.89 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 116.081 -0.508 . . . . 25.0 111.138 -178.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.42 -47.47 85.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.594 0.711 . . . . 25.0 110.205 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -63.25 -27.05 69.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.424 -0.807 . . . . 25.0 111.668 -176.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.1 75.03 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -86.18 -16.91 36.32 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 111.779 0.289 . . . . 25.0 111.779 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.0 m -60.33 156.79 14.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.163 0.506 . . . . 25.0 111.178 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.577 0 C-N-CA 120.885 -0.674 . . . . 25.0 113.151 -178.438 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm . . . . . 0 C--O 1.24 0.554 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -145.66 133.54 21.27 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 116.257 -0.429 . . . . 25.0 109.945 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.51 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 5.3 m -69.89 148.85 48.5 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.744 -0.598 . . . . 25.0 111.2 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -59.48 -48.79 80.31 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.612 1.338 . . . . 25.0 114.612 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -32.56 66.15 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 118.489 0.586 . . . . 25.0 112.211 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -77.61 -24.54 49.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.369 0.604 . . . . 25.0 110.33 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 tp -67.6 -30.67 70.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.813 -0.554 . . . . 25.0 110.448 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.547 ' HB2' HD11 ' B' ' 61' ' ' LEU . 32.5 ttpt -61.85 -31.84 72.13 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 120.299 -0.56 . . . . 25.0 110.267 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -64.12 -47.43 79.99 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.098 -0.704 . . . . 25.0 109.098 177.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.09 -46.96 87.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.87 -31.84 72.96 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 115.59 -0.732 . . . . 25.0 111.743 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -81.67 -22.41 37.52 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.965 -0.459 . . . . 25.0 111.092 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 53.8 m -90.35 -52.4 4.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.877 -0.601 . . . . 25.0 111.892 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -92.36 -40.09 11.1 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.646 0.61 . . . . 25.0 112.646 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.436 HD13 HD22 ' A' ' 4' ' ' LEU . 8.7 tp -89.44 10.17 23.62 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.529 0.681 . . . . 25.0 109.738 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -39.44 30.47 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 115.458 1.651 . . . . 25.0 115.458 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.53 -30.67 61.84 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 120.557 -0.83 . . . . 25.0 111.282 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -73.63 -30.5 62.99 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.687 -0.89 . . . . 25.0 109.03 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.29 -38.99 82.21 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.68 -36.66 81.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.52 0.676 . . . . 25.0 111.3 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.09 39.94 1.55 Allowed 'General case' 0 C--O 1.247 0.941 0 CA-C-O 121.724 0.774 . . . . 25.0 109.708 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -71.75 162.02 30.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.917 -1.038 . . . . 25.0 108.3 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -131.09 -50.96 1.02 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.287 -0.635 . . . . 25.0 109.287 176.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -84.87 92.63 8.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.526 0.679 . . . . 25.0 109.873 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 29.0 m -66.0 -21.35 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.386 -0.825 . . . . 25.0 112.996 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -81.59 -47.57 12.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.91 70.66 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.247 0.462 . . . . 25.0 112.247 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.19 -38.76 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.29 -28.4 57.0 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.302 -0.863 . . . . 25.0 111.263 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -59.61 -38.64 81.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.019 -0.426 . . . . 25.0 111.585 177.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 50.0 t -68.56 -40.84 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 122.277 1.037 . . . . 25.0 108.717 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.4 mmt -72.02 -46.53 56.77 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 115.138 -0.937 . . . . 25.0 111.829 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -36.0 82.48 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.143 -0.317 . . . . 25.0 110.143 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -59.48 -48.78 80.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -79.21 -20.55 48.0 Favored 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 118.685 -1.206 . . . . 25.0 110.488 -174.186 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.91 -26.91 68.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.037 0.446 . . . . 25.0 110.894 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -103.0 -25.35 13.48 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.472 0.653 . . . . 25.0 110.747 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -94.82 21.77 7.15 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.84 22.9 4.61 Favored Glycine 0 C--O 1.213 -1.209 0 CA-C-N 115.562 -0.744 . . . . 25.0 112.327 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -115.96 -1.91 12.43 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 122.527 -0.396 . . . . 25.0 110.246 167.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.47 -155.99 32.29 Favored Glycine 0 N--CA 1.433 -1.527 0 N-CA-C 109.551 -1.42 . . . . 25.0 109.551 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.51 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 11.8 pt-20 -155.46 163.52 39.92 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 113.809 -1.196 . . . . 25.0 110.175 -169.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 m -141.93 168.25 15.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 122.097 0.951 . . . . 25.0 110.851 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -120.58 -174.2 2.75 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 105.157 -2.164 . . . . 25.0 105.157 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.96 -46.71 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.496 0.924 . . . . 25.0 113.496 177.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.494 ' O ' HG23 ' B' ' 76' ' ' VAL . 65.2 tt0 -54.95 -46.85 75.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.975 0.352 . . . . 25.0 111.343 -177.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.54 -39.74 70.5 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.107 0.956 . . . . 25.0 108.98 -173.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -38.81 86.78 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.237 -0.892 . . . . 25.0 109.829 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 72.6 t -71.97 -36.22 56.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 121.173 -0.211 . . . . 25.0 110.561 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 72' ' ' GLN . 75.3 t -57.73 -46.66 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 176.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 mt -69.29 -38.41 78.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 25.0 111.255 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.7 -43.86 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.49 -36.47 81.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.957 -0.464 . . . . 25.0 110.743 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.14 -41.23 97.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.278 0.561 . . . . 25.0 110.2 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 tt -68.58 -35.77 77.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.448 0.642 . . . . 25.0 109.488 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -64.46 -40.2 95.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.378 -0.373 . . . . 25.0 111.834 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.539 HG11 ' HB2' ' A' ' 72' ' ' GLN . 20.8 m -71.28 -23.84 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 120.783 -1.198 . . . . 25.0 112.343 177.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.607 0 CA-C-O 121.412 0.625 . . . . 25.0 111.131 171.409 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.234 0.271 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.48 -39.52 84.0 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.339 0.59 . . . . 25.0 110.259 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.692 HD11 HD13 ' B' ' 11' ' ' LEU . 13.4 tp -68.15 -32.99 73.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.925 0.869 . . . . 25.0 112.277 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -74.23 -34.95 63.82 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.009 -0.541 . . . . 25.0 110.346 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.9 p -72.8 -26.11 61.4 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.99 86.14 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 173.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.4 mmm -70.09 -33.05 71.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.173 0.805 . . . . 25.0 113.173 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -70.58 -25.4 63.05 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 120.026 -0.67 . . . . 25.0 109.563 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.4 m -65.13 -42.56 93.75 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.118 -0.364 . . . . 25.0 110.552 172.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.2 -35.87 76.38 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.898 -0.779 . . . . 25.0 108.898 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.58 -45.68 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -59.57 -48.82 80.15 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 122.126 -0.359 . . . . 25.0 110.747 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.76 -43.36 98.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.52 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -62.43 -49.13 76.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.128 0.489 . . . . 25.0 109.979 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -61.08 -30.47 70.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.855 -0.611 . . . . 25.0 112.176 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.08 75.4 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 111.738 0.273 . . . . 25.0 111.738 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -83.92 -19.32 34.91 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 111.697 0.258 . . . . 25.0 111.697 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--N 1.327 -0.404 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -178.668 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 N--CA 1.464 0.269 0 N-CA-C 108.763 -0.829 . . . . 25.0 108.763 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -131.98 151.6 51.63 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.104 0.478 . . . . 25.0 111.899 -176.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -138.79 134.79 33.9 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 109.095 -0.705 . . . . 25.0 109.095 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -65.07 147.69 53.02 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 111.908 0.336 . . . . 25.0 111.908 179.11 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -63.13 -47.14 84.04 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.061 0.763 . . . . 25.0 113.061 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -58.75 -29.02 66.43 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.407 0.549 . . . . 25.0 111.908 176.552 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -83.01 -23.76 33.15 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 121.554 0.693 . . . . 25.0 110.876 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD11 ' HD1' ' A' ' 74' ' ' TYR . 17.7 tp -64.69 -32.8 74.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.129 0.49 . . . . 25.0 109.841 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HB2' HD11 ' A' ' 61' ' ' LEU . 25.8 tttp -55.18 -38.71 68.7 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.751 -0.659 . . . . 25.0 110.983 177.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.3 -48.51 75.4 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.273 -0.639 . . . . 25.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.11 -45.74 90.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.65 0.738 . . . . 25.0 109.411 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.79 -30.61 71.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.563 -0.744 . . . . 25.0 111.976 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -81.78 -22.68 37.03 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 122.841 0.456 . . . . 25.0 111.736 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -93.88 -52.67 4.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.99 -0.55 . . . . 25.0 112.123 -174.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -91.28 -42.67 10.26 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.366 0.603 . . . . 25.0 112.011 -176.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD13 HD22 ' B' ' 4' ' ' LEU . 9.9 tp -87.36 8.26 25.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.837 -0.619 . . . . 25.0 110.119 -178.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.04 -37.04 8.71 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 116.239 1.94 . . . . 25.0 116.239 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.99 -36.8 56.9 Favored Glycine 0 C--O 1.224 -0.507 0 C-N-CA 120.141 -1.028 . . . . 25.0 111.209 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -71.8 -29.74 64.78 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 176.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.7 tp -68.83 -42.95 76.47 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 121.418 0.627 . . . . 25.0 109.803 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.2 -32.71 73.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.524 -0.762 . . . . 25.0 111.716 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.71 22.49 4.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.307 -0.406 . . . . 25.0 110.436 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.33 152.45 29.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.088 0.47 . . . . 25.0 110.189 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -135.04 -50.36 0.76 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.15 86.78 4.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.81 -1.182 . . . . 25.0 107.81 172.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.8 m -64.79 -25.2 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.745 -0.661 . . . . 25.0 110.538 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.24 -38.62 82.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.187 0.518 . . . . 25.0 110.501 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.2 -39.03 23.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 -176.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -65.57 -38.13 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.612 0.72 . . . . 25.0 109.394 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -78.9 -26.33 43.79 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.516 -0.765 . . . . 25.0 109.629 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -60.97 -37.35 82.12 Favored 'General case' 0 C--O 1.215 -0.741 0 C-N-CA 120.84 -0.344 . . . . 25.0 111.442 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.73 -42.13 80.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 122.053 0.93 . . . . 25.0 108.842 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.7 mmt -70.49 -46.67 63.29 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.373 -0.83 . . . . 25.0 111.75 -176.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -35.37 80.62 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.428 -0.212 . . . . 25.0 110.428 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -60.24 -48.06 83.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -79.25 -20.18 48.81 Favored 'General case' 0 C--O 1.21 -0.982 0 C-N-CA 118.933 -1.107 . . . . 25.0 110.624 -174.796 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.04 -27.35 69.35 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.073 0.463 . . . . 25.0 110.747 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -103.56 -23.77 13.47 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.393 0.616 . . . . 25.0 110.955 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -96.65 19.83 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.009 -0.541 . . . . 25.0 110.309 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.33 20.77 3.88 Favored Glycine 0 C--O 1.218 -0.883 0 CA-C-O 121.841 0.689 . . . . 25.0 112.636 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -99.27 -29.89 12.55 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.62 -152.93 29.08 Favored Glycine 0 N--CA 1.438 -1.211 0 CA-C-O 123.295 1.497 . . . . 25.0 113.974 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -152.93 165.41 35.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 112.988 -1.606 . . . . 25.0 110.385 -171.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 m -134.95 173.12 14.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.278 -0.874 . . . . 25.0 110.492 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -121.41 -174.25 2.81 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 106.201 -1.777 . . . . 25.0 106.201 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -53.85 -49.08 69.25 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 177.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.1 tt0 -55.75 -45.05 78.11 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.102 0.41 . . . . 25.0 111.034 -176.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -44.26 71.48 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.123 0.963 . . . . 25.0 109.553 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.407 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -58.43 -38.81 78.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.028 -0.987 . . . . 25.0 110.27 -178.792 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' B' ' 79' ' ' ALA . 82.8 t -72.89 -36.16 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 122.223 -0.298 . . . . 25.0 110.921 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 72' ' ' GLN . 72.6 t -58.4 -46.32 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 176.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.81 -36.98 76.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.84 -0.618 . . . . 25.0 110.923 -177.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.0 t -63.08 -44.8 99.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 175.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.61 88.12 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.051 -0.405 . . . . 25.0 110.554 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.06 95.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.412 0.625 . . . . 25.0 110.463 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.47 -37.34 82.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.451 0.643 . . . . 25.0 109.586 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.2 m -62.46 -43.61 98.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.169 -0.469 . . . . 25.0 111.733 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.489 HG11 ' HB2' ' B' ' 72' ' ' GLN . 23.5 m -70.63 -23.97 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 120.706 -1.246 . . . . 25.0 112.183 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 121.235 0.541 . . . . 25.0 110.717 175.358 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 119.999 -0.048 . . . . 25.0 111.018 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.46 -46.01 91.85 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.414 0.626 . . . . 25.0 110.486 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.409 HD22 HD13 ' A' ' 41' ' ' LEU . 3.4 tt -65.98 -40.65 91.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.035 0.921 . . . . 25.0 109.723 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -68.16 -35.03 77.42 Favored 'General case' 0 C--N 1.315 -0.914 0 O-C-N 121.458 -0.776 . . . . 25.0 111.939 -176.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.5 p -73.84 -31.15 63.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 176.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.8 -48.02 82.75 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 172.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mmm -72.23 -29.74 64.24 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -72.82 -24.42 60.9 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.363 -0.835 . . . . 25.0 109.526 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -63.51 -44.46 94.26 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 170.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.692 HD13 HD11 ' A' ' 4' ' ' LEU . 3.9 mm? -62.2 -38.6 89.76 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.68 -48.31 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -58.15 -49.6 76.42 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.776 0.322 . . . . 25.0 110.583 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -67.41 -42.82 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-N 115.602 -0.726 . . . . 25.0 111.968 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.438 ' HB2' ' CE2' ' B' ' 74' ' ' TYR . 83.3 t80 -59.36 -51.23 70.79 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.586 -0.696 . . . . 25.0 110.38 178.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -71.34 -14.67 62.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.85 54.84 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 175.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -78.96 -24.67 43.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.662 -0.244 . . . . 25.0 111.449 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -59.97 158.35 11.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.334 0.588 . . . . 25.0 111.613 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.599 0 C-N-CA 120.817 -0.706 . . . . 25.0 114.212 -178.757 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp . . . . . 0 CA--C 1.51 -0.583 0 CA-C-O 120.99 0.424 . . . . 25.0 110.542 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.0 tp -132.43 129.71 39.64 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 173.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.29 146.42 54.4 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.0 -40.49 89.42 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -29.55 70.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.633 1.106 . . . . 25.0 109.928 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.56 -23.71 39.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.616 0.722 . . . . 25.0 110.217 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.539 HD11 ' HD1' ' B' ' 74' ' ' TYR . 19.2 tp -66.12 -35.31 80.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.214 0.531 . . . . 25.0 109.908 175.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.55 ' HB2' HD11 ' B' ' 61' ' ' LEU . 31.4 ttpt -61.26 -33.92 74.33 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 116.028 -0.533 . . . . 25.0 110.369 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -63.05 -48.5 78.43 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.86 -46.6 87.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.42 0.628 . . . . 25.0 109.386 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.32 -32.11 72.82 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.859 -0.609 . . . . 25.0 112.162 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.95 -22.34 36.73 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.498 0.719 . . . . 25.0 110.847 -178.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 55.7 m -91.9 -60.62 1.82 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.922 -0.581 . . . . 25.0 111.084 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -81.37 -42.63 20.19 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.054 0.454 . . . . 25.0 111.999 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.95 13.72 17.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.154 0.502 . . . . 25.0 111.957 -177.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.12 -35.56 11.71 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.709 1.374 . . . . 25.0 114.709 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.19 -33.17 59.49 Favored Glycine 0 C--O 1.227 -0.284 0 C-N-CA 120.532 -0.842 . . . . 25.0 112.106 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -71.01 -31.74 68.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.207 -1.035 . . . . 25.0 108.207 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -69.24 -41.48 76.93 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 110.075 -0.342 . . . . 25.0 110.075 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.06 -31.46 72.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.607 0.718 . . . . 25.0 111.284 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.17 27.64 7.03 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 115.924 -0.58 . . . . 25.0 110.914 -176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -63.91 152.65 39.26 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -124.51 -49.52 1.78 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 174.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -82.09 87.8 6.47 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.7 m -63.92 -24.01 34.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 115.666 -0.697 . . . . 25.0 110.801 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -76.2 -40.29 52.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.52 -0.309 . . . . 25.0 110.773 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.5 -35.93 53.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 p -63.34 -38.56 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 107.861 -1.163 . . . . 25.0 107.861 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -77.23 -29.59 54.16 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.275 -0.875 . . . . 25.0 111.261 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -26.43 68.24 Favored 'General case' 0 C--O 1.21 -1.014 0 C-N-CA 121.137 -0.225 . . . . 25.0 111.467 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 66.1 t -85.47 -45.42 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.573 0.701 . . . . 25.0 109.724 175.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 mmt -68.05 -53.4 25.93 Favored 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 -173.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -35.58 80.93 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.784 -0.45 . . . . 25.0 109.784 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -60.71 -46.16 91.47 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.555 -0.458 . . . . 25.0 109.926 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.55 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.74 -22.66 49.95 Favored 'General case' 0 C--O 1.207 -1.134 0 C-N-CA 119.029 -1.069 . . . . 25.0 110.857 -177.208 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.57 -26.79 67.2 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 111.81 0.3 . . . . 25.0 111.81 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -106.11 -21.47 13.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.546 0.688 . . . . 25.0 111.488 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -96.53 15.87 20.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.657 0.742 . . . . 25.0 109.564 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.75 -19.96 65.76 Favored Glycine 0 C--O 1.217 -0.919 0 N-CA-C 115.341 0.896 . . . . 25.0 115.341 -170.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.0 6.74 43.56 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.929 0.871 . . . . 25.0 110.748 -171.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.15 -156.61 32.9 Favored Glycine 0 N--CA 1.418 -2.545 0 N-CA-C 104.376 -3.489 . . . . 25.0 104.376 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -149.6 169.42 21.01 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 122.044 -0.68 . . . . 25.0 109.694 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.9 166.02 23.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.956 -1.02 . . . . 25.0 108.838 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -118.71 -174.09 2.62 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.632 -1.988 . . . . 25.0 105.632 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -53.98 -46.28 71.63 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.489 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.4 tt0 -55.48 -46.43 76.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 118.172 0.442 . . . . 25.0 111.69 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.29 -46.44 64.3 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.92 -1.141 . . . . 25.0 107.92 -174.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.539 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.7 OUTLIER -57.41 -40.55 78.53 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.459 -1.246 . . . . 25.0 111.38 -176.09 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.23 -37.57 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 122.39 -0.194 . . . . 25.0 110.722 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.445 HG22 HG22 ' A' ' 76' ' ' VAL . 54.7 t -60.49 -43.62 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.7 -37.3 76.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.886 0.374 . . . . 25.0 110.912 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -63.56 -42.28 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.427 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -68.83 -35.31 76.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.904 -0.497 . . . . 25.0 111.916 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.56 97.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.293 0.568 . . . . 25.0 109.607 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -36.4 77.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.358 0.599 . . . . 25.0 109.59 177.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 47.9 m -60.25 -44.86 94.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.184 -0.462 . . . . 25.0 110.818 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.441 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.8 m -74.41 -23.9 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 121.253 -0.904 . . . . 25.0 112.587 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.41 0 CA-C-O 121.866 0.841 . . . . 25.0 109.472 173.039 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.24 0.554 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -62.44 -39.66 94.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.135 0.493 . . . . 25.0 109.76 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.422 HD12 HG11 ' B' ' 14' ' ' VAL . 1.5 tt -65.16 -41.77 94.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.568 0.699 . . . . 25.0 111.022 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -63.98 -37.96 89.33 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.631 -0.668 . . . . 25.0 111.115 -176.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -77.64 -27.86 51.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.262 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.61 96.18 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.436 -0.949 . . . . 25.0 108.436 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -71.54 -31.8 67.42 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.21 -28.02 66.0 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -64.35 -43.05 95.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.82 0.343 . . . . 25.0 110.335 173.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.07 -33.64 73.64 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.49 -45.28 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -58.5 -46.61 86.34 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.489 0.661 . . . . 25.0 110.408 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.47 HG11 HD12 ' B' ' 4' ' ' LEU . 72.8 t -65.92 -42.67 92.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.24 -0.891 . . . . 25.0 111.592 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.24 -43.98 95.62 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.553 -0.717 . . . . 25.0 109.35 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -66.02 -17.55 64.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.48 -49.3 67.06 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.822 -0.549 . . . . 25.0 111.252 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -94.59 -11.78 28.75 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.403 ' HA ' HD13 ' A' ' 28' ' ' LEU . 96.1 p . . . . . 0 C--N 1.325 -0.485 0 CA-C-O 121.137 0.494 . . . . 25.0 111.021 -178.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 107.159 -1.423 . . . . 25.0 107.159 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -133.77 158.68 42.73 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.626 -1.17 . . . . 25.0 110.642 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 19' ' ' SER . 14.7 tp -153.81 136.05 14.87 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.494 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 4.3 m -67.31 149.92 49.7 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.853 -0.529 . . . . 25.0 111.381 179.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -58.96 -51.67 69.07 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.827 1.047 . . . . 25.0 113.827 -175.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -28.94 61.88 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.917 0.71 . . . . 25.0 112.917 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -79.37 -23.51 43.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.974 0.416 . . . . 25.0 110.631 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.0 tp -69.91 -25.63 63.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.863 -0.523 . . . . 25.0 110.734 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HB2' HD11 ' A' ' 61' ' ' LEU . 44.6 tttp -56.09 -40.78 74.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.112 0.482 . . . . 25.0 109.749 176.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.41 -46.51 82.93 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.865 -0.607 . . . . 25.0 110.04 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.62 -47.07 87.03 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.936 -0.764 . . . . 25.0 108.936 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.28 -30.57 71.22 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 116.072 -0.513 . . . . 25.0 111.611 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -82.18 -22.15 36.15 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 122.082 -0.386 . . . . 25.0 111.865 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.1 m -94.64 -50.58 5.11 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.767 -176.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -98.18 -19.4 17.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.404 HD13 HD22 ' B' ' 4' ' ' LEU . 12.0 tp -112.26 12.44 20.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.443 -0.947 . . . . 25.0 108.443 176.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.02 -44.01 9.68 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 116.898 2.184 . . . . 25.0 116.898 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.52 -30.9 59.48 Favored Glycine 0 C--O 1.225 -0.455 0 O-C-N 121.402 -0.811 . . . . 25.0 111.68 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -73.28 -23.63 60.33 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -78.56 -38.9 39.19 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 123.051 0.54 . . . . 25.0 110.275 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.45 -30.59 70.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.558 0.694 . . . . 25.0 111.176 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.98 21.91 7.14 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.972 -0.558 . . . . 25.0 110.928 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.89 152.57 27.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.319 . . . . 25.0 110.693 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -133.9 -54.58 0.87 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.508 -0.314 . . . . 25.0 110.197 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -78.19 90.79 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.725 -1.213 . . . . 25.0 107.725 171.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.76 -26.65 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.182 0.515 . . . . 25.0 110.462 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.47 -39.24 77.84 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.253 0.549 . . . . 25.0 109.656 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.62 -36.24 38.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.916 -175.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.59 -38.68 82.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 108.601 -0.889 . . . . 25.0 108.601 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -80.64 -24.84 38.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.031 -0.532 . . . . 25.0 110.883 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -31.45 65.22 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 109.57 -0.53 . . . . 25.0 109.57 174.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.2 t -82.06 -44.84 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.367 0.604 . . . . 25.0 110.19 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.5 mmt -68.54 -51.99 36.85 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 113.224 0.824 . . . . 25.0 113.224 -174.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -36.33 83.36 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.958 -0.386 . . . . 25.0 109.958 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -61.3 -43.69 98.45 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.628 -0.429 . . . . 25.0 110.701 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -77.97 -23.09 48.55 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 119.214 -0.994 . . . . 25.0 109.797 -177.326 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.94 -26.04 67.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.178 0.513 . . . . 25.0 110.421 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -97.93 -25.8 14.87 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.716 0.77 . . . . 25.0 110.122 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -95.26 19.23 10.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.572 -0.74 . . . . 25.0 109.336 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.44 25.2 1.37 Allowed Glycine 0 C--O 1.22 -0.754 0 CA-C-N 115.904 -0.589 . . . . 25.0 114.348 -176.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -115.86 -13.88 11.33 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.772 0.32 . . . . 25.0 110.542 172.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.92 -154.48 29.7 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-O 122.868 1.26 . . . . 25.0 111.735 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.494 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 11.3 pt-20 -152.9 165.01 36.8 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 113.815 -1.193 . . . . 25.0 110.447 -170.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 m -142.58 167.86 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 123.876 0.735 . . . . 25.0 110.758 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -120.98 -174.18 2.77 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 106.006 -1.85 . . . . 25.0 106.006 174.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -53.35 -48.12 68.81 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.504 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.6 tt0 -55.35 -45.92 76.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.168 0.44 . . . . 25.0 110.853 -177.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.42 -42.12 75.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.122 0.963 . . . . 25.0 109.965 -175.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.96 -39.52 89.86 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.223 -0.898 . . . . 25.0 110.031 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 81.0 t -71.29 -35.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 122.284 -0.26 . . . . 25.0 110.853 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 72' ' ' GLN . 71.5 t -57.96 -44.88 87.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 176.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.4 mt -70.8 -36.25 72.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.346 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 t -63.88 -44.11 97.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.789 -0.449 . . . . 25.0 109.789 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.24 85.16 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.901 -0.5 . . . . 25.0 110.48 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.47 99.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.377 0.608 . . . . 25.0 110.488 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.95 -36.23 79.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.423 0.63 . . . . 25.0 109.828 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.5 m -62.27 -48.31 80.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.211 -0.449 . . . . 25.0 111.123 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.482 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.2 m -67.35 -18.87 24.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 N-CA-C 113.79 1.033 . . . . 25.0 113.79 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.956 0 CA-C-O 121.292 0.568 . . . . 25.0 112.194 171.305 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.236 0.376 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -61.56 -39.12 89.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.118 0.485 . . . . 25.0 110.594 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.47 HD12 HG11 ' A' ' 14' ' ' VAL . 1.8 tt -67.13 -42.39 84.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.674 0.75 . . . . 25.0 109.942 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -66.05 -35.55 80.85 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 121.715 -0.616 . . . . 25.0 110.993 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -74.65 -26.98 60.23 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.259 -0.576 . . . . 25.0 110.907 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.03 94.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 175.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.8 mmm -71.06 -33.93 70.72 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.705 0.631 . . . . 25.0 112.705 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.12 -29.24 68.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.878 0.763 . . . . 25.0 109.038 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -64.08 -44.26 92.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.777 0.322 . . . . 25.0 110.489 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.4 -36.54 78.34 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.56 -46.1 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.287 -0.634 . . . . 25.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.52 -45.05 89.65 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.159 0.504 . . . . 25.0 110.905 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.422 HG11 HD12 ' A' ' 4' ' ' LEU . 79.6 t -65.64 -44.49 93.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 115.084 -0.962 . . . . 25.0 110.666 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -59.7 -46.8 87.97 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.765 -0.585 . . . . 25.0 109.779 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -66.57 -21.55 66.15 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.96 89.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.669 0.271 . . . . 25.0 110.62 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -102.38 -14.62 16.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.894 0.701 . . . . 25.0 112.894 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.6 p -63.46 167.68 5.27 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 -173.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.536 0 N-CA-C 115.04 0.776 . . . . 25.0 115.04 175.1 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 121.169 0.509 . . . . 25.0 111.553 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.65 135.78 20.13 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 106.773 -1.566 . . . . 25.0 106.773 174.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -65.17 146.14 55.36 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.816 -0.553 . . . . 25.0 109.783 -179.685 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -58.52 -43.37 89.13 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.203 0.816 . . . . 25.0 113.203 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.76 -29.79 70.35 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.841 0.746 . . . . 25.0 111.116 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -78.55 -25.85 45.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.711 -0.677 . . . . 25.0 109.818 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.467 HD22 HG21 ' B' ' 69' ' ' VAL . 17.1 tp -65.59 -30.83 71.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.987 -0.446 . . . . 25.0 110.504 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -61.08 -31.3 70.97 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 120.837 -0.345 . . . . 25.0 110.846 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -63.58 -48.54 76.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.2 -46.01 92.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.89 -0.782 . . . . 25.0 108.89 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.2 -30.72 71.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.262 0.554 . . . . 25.0 111.822 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -81.92 -22.33 36.82 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 122.94 0.496 . . . . 25.0 111.47 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 43.2 m -97.64 -56.71 2.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.847 -0.615 . . . . 25.0 112.523 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -90.15 -18.17 26.29 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -174.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.421 HD13 HD22 ' A' ' 4' ' ' LEU . 11.2 tp -113.81 11.69 18.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.453 0.644 . . . . 25.0 109.446 176.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.09 -38.82 18.53 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.078 1.51 . . . . 25.0 115.078 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.51 -28.89 72.93 Favored Glycine 0 C--O 1.224 -0.494 0 C-N-CA 120.79 -0.719 . . . . 25.0 112.553 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -79.5 -28.33 41.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.696 -0.884 . . . . 25.0 108.764 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.4 mt -69.39 -39.33 78.06 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.289 -0.634 . . . . 25.0 109.289 175.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -67.37 -33.96 76.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.612 0.72 . . . . 25.0 111.406 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.73 24.74 7.96 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.062 -0.517 . . . . 25.0 111.173 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -62.2 152.38 33.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.928 0.394 . . . . 25.0 110.156 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -128.41 -48.3 1.3 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -82.22 87.44 6.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 175.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.53 -24.7 36.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 CA-C-N 115.687 -0.688 . . . . 25.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.21 -41.89 60.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.095 0.474 . . . . 25.0 111.23 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.55 -37.17 37.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.452 -0.34 . . . . 25.0 111.679 -176.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 p -64.88 -37.65 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -79.31 -29.44 42.38 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.212 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -60.88 -40.77 94.23 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 120.752 -0.379 . . . . 25.0 111.528 176.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -67.0 -41.12 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.4 mmt -69.29 -46.79 66.33 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 115.561 -0.745 . . . . 25.0 112.188 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.98 -36.44 82.18 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 121.363 -0.135 . . . . 25.0 110.668 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -61.28 -44.46 97.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.03 -21.92 50.01 Favored 'General case' 0 C--O 1.205 -1.284 0 C-N-CA 119.327 -0.949 . . . . 25.0 110.148 -177.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -63.53 -26.28 68.63 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.884 -0.51 . . . . 25.0 111.268 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -101.03 -25.53 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.47 0.653 . . . . 25.0 110.794 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -97.19 9.06 43.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.771 -0.65 . . . . 25.0 111.281 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.89 -24.49 62.7 Favored Glycine 0 C--O 1.217 -0.923 0 N-CA-C 116.63 1.412 . . . . 25.0 116.63 -167.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.67 3.14 48.98 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.676 0.75 . . . . 25.0 110.448 -171.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.52 -156.4 31.83 Favored Glycine 0 N--CA 1.421 -2.35 0 N-CA-C 105.72 -2.952 . . . . 25.0 105.72 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -150.97 165.19 34.47 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.055 0.455 . . . . 25.0 110.375 -173.6 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.467 HG21 HD22 ' B' ' 33' ' ' LEU . 3.4 m -136.79 167.48 23.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.334 -0.848 . . . . 25.0 108.972 178.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -119.82 -174.15 2.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 105.979 -1.86 . . . . 25.0 105.979 174.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.09 -47.55 68.48 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.482 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.5 tt0 -55.21 -47.12 75.77 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.294 0.497 . . . . 25.0 110.77 -177.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.81 -44.47 73.45 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-O 122.076 0.941 . . . . 25.0 109.05 -174.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -40.78 81.43 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.939 -1.028 . . . . 25.0 110.421 -178.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.1 t -71.41 -36.33 60.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 122.238 -0.289 . . . . 25.0 110.95 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.421 HG22 HG22 ' A' ' 76' ' ' VAL . 55.0 t -59.96 -44.65 95.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.593 -0.521 . . . . 25.0 109.593 177.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.4 mt -69.4 -37.4 77.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.128 0.49 . . . . 25.0 110.831 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.1 t -62.53 -44.09 99.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.37 82.96 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.06 -0.4 . . . . 25.0 111.287 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.73 97.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.298 0.571 . . . . 25.0 110.1 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.25 -35.85 78.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.426 0.632 . . . . 25.0 109.64 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 76.3 m -61.81 -44.94 95.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.081 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.481 HG11 ' HB2' ' A' ' 72' ' ' GLN . 28.6 m -71.15 -26.98 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 120.878 -1.139 . . . . 25.0 111.693 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 121.569 0.7 . . . . 25.0 110.831 174.901 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p . . . . . 0 C--O 1.235 0.308 0 N-CA-C 110.613 -0.143 . . . . 25.0 110.613 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.28 -41.5 97.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.975 0.417 . . . . 25.0 110.617 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.447 HD22 HD13 ' B' ' 41' ' ' LEU . 2.8 tt -65.3 -41.85 93.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.27 0.557 . . . . 25.0 110.189 177.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.26 -40.7 98.14 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.623 -0.673 . . . . 25.0 110.82 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.9 p -71.7 -27.81 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.449 -0.5 . . . . 25.0 110.64 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.48 95.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -72.78 -32.03 65.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.585 0.957 . . . . 25.0 113.585 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.77 -26.6 65.3 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.1 m -64.74 -43.3 93.8 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.573 -0.285 . . . . 25.0 110.634 172.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.4 -36.31 77.83 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.51 -45.4 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.73 -49.41 77.73 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.068 0.461 . . . . 25.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.424 HG11 HD12 ' B' ' 4' ' ' LEU . 69.7 t -62.2 -44.24 98.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.664 -0.698 . . . . 25.0 111.794 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.51 -48.39 79.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.764 -0.585 . . . . 25.0 110.263 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -62.6 -29.49 70.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.922 -0.581 . . . . 25.0 111.835 -177.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.88 93.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.112 0.412 . . . . 25.0 112.112 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -93.73 -19.38 21.13 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 -177.696 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.844 0.354 . . . . 25.0 110.602 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -126.78 156.85 40.58 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -141.28 130.41 23.39 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.548 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.2 m -68.21 145.96 53.82 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 122.099 -0.376 . . . . 25.0 110.087 -177.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -57.49 -46.82 83.3 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.173 1.175 . . . . 25.0 114.173 -174.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -31.35 68.88 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.467 0.576 . . . . 25.0 112.211 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -80.31 -24.67 39.78 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 121.202 0.525 . . . . 25.0 110.406 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD22 HG21 ' A' ' 69' ' ' VAL . 19.0 tp -66.52 -30.64 71.0 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.779 -0.576 . . . . 25.0 109.887 176.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -60.8 -31.67 71.05 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.276 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.09 -48.98 76.28 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.195 -0.669 . . . . 25.0 109.195 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.9 -46.61 88.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.729 0.776 . . . . 25.0 109.185 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.3 -31.27 72.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.431 -0.804 . . . . 25.0 111.77 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -81.84 -22.33 37.06 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.104 0.562 . . . . 25.0 111.678 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.6 m -94.79 -55.85 2.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.887 -0.597 . . . . 25.0 112.426 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -87.61 -44.62 11.09 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.363 0.601 . . . . 25.0 111.592 -176.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 tp -86.46 9.32 18.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.5 0.667 . . . . 25.0 110.321 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -38.75 23.49 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 115.308 1.596 . . . . 25.0 115.308 176.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.02 -40.16 84.16 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.345 -0.931 . . . . 25.0 111.043 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -68.16 -29.04 67.83 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 122.025 -0.691 . . . . 25.0 109.384 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.13 -42.58 69.02 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 109.484 -0.562 . . . . 25.0 109.484 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.01 -32.32 70.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.614 0.721 . . . . 25.0 111.402 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.51 20.25 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.174 -0.466 . . . . 25.0 109.796 -176.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.25 152.35 25.08 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -138.17 -47.26 0.53 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' HB2' ' HA ' ' A' ' 84' ' ' ALA . 15.9 m-20 -82.39 79.56 8.81 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.376 -1.342 . . . . 25.0 107.376 175.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.413 ' HA ' HG12 ' A' ' 54' ' ' VAL . 35.0 m -63.19 -24.46 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.243 -0.889 . . . . 25.0 111.512 -174.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.81 -37.97 87.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.292 0.567 . . . . 25.0 110.275 177.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.88 -40.44 22.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.82 -0.627 . . . . 25.0 112.589 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 p -65.29 -37.97 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.584 0.707 . . . . 25.0 109.541 -175.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -77.71 -28.79 50.99 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.387 -0.824 . . . . 25.0 110.728 -175.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -60.96 -37.42 82.32 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 122.006 -0.434 . . . . 25.0 111.708 177.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.3 -42.24 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 122.188 0.994 . . . . 25.0 108.798 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.1 mmt -70.33 -48.41 56.62 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.148 -0.933 . . . . 25.0 111.859 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -35.66 81.7 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.473 -0.195 . . . . 25.0 110.473 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -60.33 -48.53 81.34 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.87 -19.68 51.35 Favored 'General case' 0 C--O 1.207 -1.136 0 C-N-CA 119.073 -1.051 . . . . 25.0 110.561 -174.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.61 -28.23 69.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.168 0.508 . . . . 25.0 110.935 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -104.1 -23.45 13.29 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.366 0.603 . . . . 25.0 110.973 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -95.8 18.58 12.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.917 0.865 . . . . 25.0 109.444 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.73 24.97 3.05 Favored Glycine 0 C--O 1.212 -1.244 0 CA-C-N 115.362 -0.836 . . . . 25.0 112.961 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -115.78 -4.17 12.16 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 122.68 -0.306 . . . . 25.0 111.608 168.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.09 -158.1 32.75 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 109.247 -1.541 . . . . 25.0 109.247 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 14.1 pt-20 -151.69 159.51 43.97 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 113.459 -1.371 . . . . 25.0 110.087 -174.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.42 HG21 HD22 ' A' ' 33' ' ' LEU . 6.4 m -133.95 173.2 15.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.529 -0.76 . . . . 25.0 110.381 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -124.26 -174.36 2.99 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 105.731 -1.952 . . . . 25.0 105.731 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -52.8 -48.12 67.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.697 0.999 . . . . 25.0 113.697 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.505 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.2 tt0 -55.25 -45.64 76.06 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.173 0.442 . . . . 25.0 111.426 -177.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -40.67 69.26 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 122.079 0.942 . . . . 25.0 110.005 -175.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -38.84 83.68 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.304 -0.862 . . . . 25.0 109.85 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.443 HG11 ' HB2' ' B' ' 79' ' ' ALA . 78.1 t -71.79 -36.23 57.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 121.215 -0.194 . . . . 25.0 110.725 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 72' ' ' GLN . 78.4 t -58.16 -46.56 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 177.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.12 -36.16 74.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.892 -0.594 . . . . 25.0 111.05 -177.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.2 t -63.48 -45.23 98.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.59 90.9 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.092 -0.38 . . . . 25.0 110.124 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.42 97.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.289 0.566 . . . . 25.0 111.033 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 tt -70.92 -35.72 72.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.226 0.536 . . . . 25.0 109.811 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.3 m -61.56 -48.91 78.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.99 -0.444 . . . . 25.0 111.127 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.539 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.5 m -62.11 -23.78 32.73 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 N-CA-C 113.581 0.956 . . . . 25.0 113.581 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HA ' ' HB2' ' A' ' 50' ' ' ASP . . . . . . . . 0 CA--C 1.554 1.111 0 N-CA-C 113.805 1.039 . . . . 25.0 113.805 172.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.05 -43.29 95.49 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.392 0.615 . . . . 25.0 111.56 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.424 HD12 HG11 ' A' ' 14' ' ' VAL . 3.2 tt -65.54 -40.66 93.13 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 122.008 0.908 . . . . 25.0 109.14 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -67.88 -35.54 78.69 Favored 'General case' 0 C--N 1.313 -0.988 0 O-C-N 121.509 -0.744 . . . . 25.0 111.36 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 p -71.73 -27.98 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.503 -0.479 . . . . 25.0 109.881 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.1 82.22 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 174.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.6 mmm -70.93 -33.47 70.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -69.47 -27.3 65.11 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.8 m -65.49 -44.05 88.28 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 110.05 -0.352 . . . . 25.0 110.05 171.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.38 -36.36 77.89 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.392 -0.595 . . . . 25.0 109.392 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.89 -47.94 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.28 -48.5 80.26 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.379 0.609 . . . . 25.0 110.721 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.414 HG11 HD12 ' A' ' 4' ' ' LEU . 72.5 t -63.29 -43.59 98.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.431 -0.804 . . . . 25.0 111.744 -178.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -61.66 -46.77 88.33 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.593 -0.692 . . . . 25.0 109.527 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -61.95 -25.36 67.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.461 -0.791 . . . . 25.0 112.775 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.14 99.36 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.373 0.509 . . . . 25.0 112.373 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -95.51 -21.53 18.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.791 0.329 . . . . 25.0 111.269 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.6 t -59.76 150.07 29.09 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.211 0.605 . . . . 25.0 112.139 -176.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.281 0 N-CA-C 115.907 1.123 . . . . 25.0 115.907 178.935 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? . . . . . 0 CA--C 1.516 -0.352 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -142.32 135.73 28.99 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.95 150.94 47.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -59.96 -42.97 95.27 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 113.257 0.836 . . . . 25.0 113.257 -176.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -29.39 69.95 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.29 0.95 . . . . 25.0 110.405 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.03 -24.02 47.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.479 -0.782 . . . . 25.0 109.479 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.46 HD22 HG21 ' B' ' 69' ' ' VAL . 22.7 tp -70.02 -36.7 75.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.898 -0.501 . . . . 25.0 109.794 175.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.556 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.9 ttpt -58.78 -33.34 70.21 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 116.485 -0.325 . . . . 25.0 110.42 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.56 -47.87 83.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.58 -45.41 94.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.353 0.597 . . . . 25.0 109.423 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mp -64.19 -30.08 71.16 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 121.455 0.645 . . . . 25.0 111.295 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -81.54 -22.69 37.72 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.993 -0.442 . . . . 25.0 111.032 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 41.3 m -93.72 -61.63 1.51 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.638 -0.71 . . . . 25.0 111.622 -177.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -83.19 -44.65 14.8 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.412 0.625 . . . . 25.0 111.796 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.447 HD13 HD22 ' A' ' 4' ' ' LEU . 12.4 tp -83.79 9.94 10.72 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.057 0.456 . . . . 25.0 110.041 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -50.03 -39.59 42.23 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 175.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.5 -31.56 74.0 Favored Glycine 0 C--O 1.225 -0.429 0 C-N-CA 119.991 -1.1 . . . . 25.0 111.84 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -78.26 -22.37 48.46 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.865 -0.785 . . . . 25.0 110.087 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.34 -39.16 48.58 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.99 -32.62 73.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.816 0.817 . . . . 25.0 111.795 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.56 12.72 17.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 25.0 111.099 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.72 151.4 14.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.198 0.523 . . . . 25.0 112.343 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -133.48 -44.34 0.83 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -81.13 88.56 5.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.486 0.66 . . . . 25.0 109.824 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.1 m -67.24 -22.8 29.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.585 -0.734 . . . . 25.0 111.607 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -77.98 -44.28 27.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.132 0.491 . . . . 25.0 110.107 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.44 -39.29 62.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.506 -0.316 . . . . 25.0 111.803 -177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.68 -38.62 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 -177.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -80.13 -30.33 39.01 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 116.07 -0.514 . . . . 25.0 110.904 -175.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -58.37 -42.04 86.12 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.484 -0.325 . . . . 25.0 111.724 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.57 -40.18 81.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.975 0.893 . . . . 25.0 108.659 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.8 mmt -69.36 -49.56 54.44 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 115.537 -0.756 . . . . 25.0 112.148 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -36.43 83.79 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.976 -0.29 . . . . 25.0 110.441 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.01 -45.4 94.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 177.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -78.26 -22.37 48.42 Favored 'General case' 0 C--O 1.206 -1.187 0 C-N-CA 119.006 -1.078 . . . . 25.0 110.806 -176.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.24 -27.14 68.23 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.087 -0.383 . . . . 25.0 111.659 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -104.7 -22.62 13.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.475 0.655 . . . . 25.0 111.071 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -96.36 14.43 24.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.53 0.681 . . . . 25.0 109.358 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.65 -22.19 63.71 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 115.391 0.917 . . . . 25.0 115.391 -170.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.33 4.43 50.81 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.723 0.773 . . . . 25.0 110.45 -174.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.87 -156.3 31.27 Favored Glycine 0 N--CA 1.419 -2.485 0 N-CA-C 103.825 -3.71 . . . . 25.0 103.825 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -153.36 169.34 23.34 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.861 -0.788 . . . . 25.0 110.401 -173.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.46 HG21 HD22 ' B' ' 33' ' ' LEU . 3.3 m -139.37 170.64 15.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.012 -0.995 . . . . 25.0 109.806 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.05 -174.29 3.22 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 104.955 -2.239 . . . . 25.0 104.955 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -53.11 -48.11 68.08 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 113.094 0.775 . . . . 25.0 113.094 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.539 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.5 tt0 -54.93 -45.03 74.78 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.289 0.495 . . . . 25.0 111.135 -177.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.73 -49.12 61.41 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.425 1.107 . . . . 25.0 108.756 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.407 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -57.36 -39.98 77.1 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.466 -1.243 . . . . 25.0 111.21 -175.363 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.2 t -70.66 -37.18 68.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.647 0.261 . . . . 25.0 110.855 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.456 HG22 HG22 ' A' ' 76' ' ' VAL . 53.6 t -61.83 -43.72 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.166 0.508 . . . . 25.0 109.783 177.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.8 mt -69.13 -37.0 78.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.337 0.589 . . . . 25.0 110.494 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 10.9 t -62.76 -43.09 98.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.443 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -67.11 -36.78 82.65 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.001 -0.437 . . . . 25.0 111.362 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.64 97.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.621 0.724 . . . . 25.0 109.776 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.66 -33.24 70.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.42 0.629 . . . . 25.0 110.155 177.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -63.92 -44.82 91.78 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.112 -0.367 . . . . 25.0 111.273 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.505 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.9 m -69.62 -23.64 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.673 -0.642 . . . . 25.0 111.881 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.042 0 CA-C-O 121.477 0.656 . . . . 25.0 112.078 171.513 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 119.941 -0.076 . . . . 25.0 110.808 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -61.75 -46.49 89.4 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.393 0.616 . . . . 25.0 110.704 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.47 -39.92 94.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.875 0.845 . . . . 25.0 109.761 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -69.84 -36.07 75.27 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.846 -0.534 . . . . 25.0 112.258 -176.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 p -73.73 -29.66 62.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.15 87.29 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.1 mmm -70.57 -32.71 70.21 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.689 0.996 . . . . 25.0 113.689 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.45 -25.54 63.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.115 -0.698 . . . . 25.0 109.115 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -64.72 -42.4 95.26 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.118 -0.364 . . . . 25.0 110.159 170.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.25 -35.06 77.8 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.8 mt -67.17 -47.18 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.82 -51.16 70.72 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.26 0.552 . . . . 25.0 111.258 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.92 -34.42 64.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 CA-C-N 115.73 -0.668 . . . . 25.0 111.957 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.95 -43.08 99.76 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 120.989 -1.069 . . . . 25.0 109.665 171.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -66.93 -16.68 64.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.772 0.656 . . . . 25.0 112.772 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.87 79.06 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 121.191 -0.204 . . . . 25.0 111.189 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -102.82 -20.38 14.34 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.17 0.509 . . . . 25.0 109.751 -178.027 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 N--CA 1.461 0.094 0 CA-C-O 120.698 0.285 . . . . 25.0 110.672 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.38 163.57 25.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.175 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.95 137.82 23.85 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.1 152.76 42.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.26 -0.275 . . . . 25.0 111.117 177.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -66.1 -43.4 87.38 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -30.47 71.04 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.063 0.847 . . . . 25.0 109.654 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -77.24 -23.49 51.29 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.123 -0.944 . . . . 25.0 110.276 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.496 HD11 ' HD1' ' A' ' 74' ' ' TYR . 27.0 tp -75.24 -31.27 60.77 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 121.67 -0.644 . . . . 25.0 110.536 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.694 ' HB2' HD11 ' A' ' 61' ' ' LEU . 33.7 ttpt -58.17 -35.5 71.65 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 120.059 -0.656 . . . . 25.0 109.894 176.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.9 -49.24 78.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.02 -44.75 96.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.464 0.649 . . . . 25.0 109.71 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.83 -30.58 71.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.845 -0.616 . . . . 25.0 111.974 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.59 -22.2 37.89 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 122.874 0.47 . . . . 25.0 111.118 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.5 m -95.22 -51.7 4.5 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 -175.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -91.68 -45.2 8.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.194 0.521 . . . . 25.0 112.138 -176.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.1 tp -85.49 8.7 18.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.824 0.821 . . . . 25.0 109.286 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.34 -39.14 21.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.657 1.725 . . . . 25.0 115.657 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.5 -38.6 79.51 Favored Glycine 0 N--CA 1.458 0.16 0 C-N-CA 120.371 -0.918 . . . . 25.0 110.97 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -69.38 -32.21 71.1 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -69.12 -44.12 73.04 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.724 0.64 . . . . 25.0 109.952 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.17 -32.85 74.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.733 0.777 . . . . 25.0 111.544 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.35 29.76 3.46 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 115.838 -0.619 . . . . 25.0 109.588 -176.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -62.88 155.81 26.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.32 -0.622 . . . . 25.0 109.32 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -132.28 -49.24 0.92 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.636 0.732 . . . . 25.0 109.265 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' HB2' ' HA ' ' A' ' 84' ' ' ALA . 22.6 m-20 -85.91 87.68 7.45 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.04 -0.982 . . . . 25.0 108.919 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -62.07 -27.92 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.627 -175.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.26 -37.56 83.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.521 0.677 . . . . 25.0 109.494 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.17 -27.98 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.837 0.68 . . . . 25.0 112.837 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.78 -39.61 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -80.26 -21.45 42.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.034 0.445 . . . . 25.0 111.564 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -53.52 -31.28 45.48 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.499 -0.773 . . . . 25.0 109.746 170.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.79 -48.31 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.278 0.561 . . . . 25.0 111.469 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.0 mmt -66.92 -53.65 29.89 Favored 'General case' 0 CA--C 1.487 -1.451 0 N-CA-C 112.824 0.676 . . . . 25.0 112.824 -172.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -34.78 78.54 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.477 -0.489 . . . . 25.0 109.94 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.31 -50.87 72.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -80.41 -19.66 45.7 Favored 'General case' 0 C--O 1.211 -0.94 0 C-N-CA 119.437 -0.905 . . . . 25.0 111.544 -173.185 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.38 -29.19 67.53 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.941 0.401 . . . . 25.0 111.471 -178.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -108.11 -22.28 12.45 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.257 0.551 . . . . 25.0 111.814 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -96.51 15.43 21.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.775 0.797 . . . . 25.0 109.87 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.6 -19.36 62.55 Favored Glycine 0 C--O 1.22 -0.762 0 N-CA-C 115.872 1.109 . . . . 25.0 115.872 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -92.05 5.4 50.36 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.722 0.773 . . . . 25.0 110.482 -171.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.32 -160.26 36.25 Favored Glycine 0 N--CA 1.417 -2.628 0 N-CA-C 103.627 -3.789 . . . . 25.0 103.627 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.41 163.26 40.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.09 -0.555 . . . . 25.0 109.854 -172.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -142.11 169.94 12.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.201 -0.908 . . . . 25.0 109.446 -175.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.61 -174.23 2.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.382 -1.71 . . . . 25.0 106.382 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -52.56 -47.54 66.73 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.533 ' HB2' HG11 ' B' ' 83' ' ' VAL . 59.5 tt0 -54.69 -47.02 74.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.497 0.59 . . . . 25.0 111.004 -178.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -79.62 -31.73 41.66 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-O 121.558 0.694 . . . . 25.0 109.9 -171.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.496 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -59.64 -41.47 90.6 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.493 -0.929 . . . . 25.0 108.493 175.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.1 t -71.34 -36.83 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.815 -0.175 . . . . 25.0 110.659 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.1 t -57.43 -44.99 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.0 mt -70.29 -37.74 74.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.707 0.289 . . . . 25.0 111.2 -178.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.86 -45.71 98.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.922 -0.399 . . . . 25.0 109.922 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.82 -36.77 80.96 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.002 -0.437 . . . . 25.0 110.612 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.71 92.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.253 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -71.27 -37.79 71.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.325 -0.621 . . . . 25.0 109.325 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.0 m -59.83 -41.7 91.93 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 112.293 0.479 . . . . 25.0 112.293 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' B' ' 72' ' ' GLN 0.303 27.5 m -67.58 -17.02 21.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 N-CA-C 114.462 1.282 . . . . 25.0 114.462 175.748 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 50' ' ' ASP . . . . . . . . 0 CA--C 1.56 1.357 0 O-C-N 120.333 -1.479 . . . . 25.0 109.369 172.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.496 0 N-CA-C 109.562 -0.532 . . . . 25.0 109.562 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.3 -44.58 95.29 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.799 0.727 . . . . 25.0 111.6 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.02 -39.54 93.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.81 0.815 . . . . 25.0 109.507 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -68.79 -37.94 79.64 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.806 -0.559 . . . . 25.0 111.727 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.3 p -71.3 -28.54 64.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.57 81.82 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.5 mmm -70.45 -31.85 69.18 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.21 -24.87 62.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.7 m -66.54 -42.24 87.48 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.1 -35.53 78.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.8 -47.51 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 177.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -58.45 -51.67 68.87 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.121 0.486 . . . . 25.0 111.403 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.56 -33.08 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.821 -0.627 . . . . 25.0 112.094 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -62.96 -45.0 94.51 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.186 -0.946 . . . . 25.0 109.097 171.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -66.42 -18.79 65.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.993 0.738 . . . . 25.0 112.993 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.67 80.01 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 122.319 -0.238 . . . . 25.0 110.895 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -101.72 -19.01 15.56 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.6 p -65.83 152.96 43.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 25.0 109.869 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.553 0 C-N-CA 120.878 -0.677 . . . . 25.0 112.935 -175.7 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp . . . . . 0 CA--C 1.515 -0.401 0 CA-C-O 120.917 0.389 . . . . 25.0 110.044 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.69 130.08 27.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 106.725 -1.583 . . . . 25.0 106.725 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -66.19 150.05 49.37 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 -178.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -64.31 -41.63 96.73 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 113.644 0.979 . . . . 25.0 113.644 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -29.11 70.19 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.758 -1.214 . . . . 25.0 109.729 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -81.33 -23.68 37.63 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.683 0.754 . . . . 25.0 109.83 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.418 HD11 ' HD1' ' B' ' 74' ' ' TYR . 10.4 tp -68.13 -36.48 79.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 173.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.678 ' HB2' HD11 ' B' ' 61' ' ' LEU . 31.7 ttpt -60.33 -35.2 75.09 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 120.412 -0.515 . . . . 25.0 110.208 178.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.53 -48.84 79.21 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.41 -46.2 89.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.616 0.722 . . . . 25.0 109.717 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.95 -31.32 72.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.072 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -81.75 -22.67 37.13 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 123.57 0.748 . . . . 25.0 111.001 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 58.5 m -94.36 -51.61 4.71 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -93.14 -45.28 7.96 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.301 0.572 . . . . 25.0 112.21 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.7 tp -84.23 8.37 16.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.855 0.836 . . . . 25.0 109.525 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -35.43 16.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 115.486 1.661 . . . . 25.0 115.486 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.8 -40.4 75.48 Favored Glycine 0 C--O 1.229 -0.19 0 C-N-CA 120.195 -1.002 . . . . 25.0 111.096 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -70.36 -31.41 68.66 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.977 -0.749 . . . . 25.0 108.977 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 26.1 tp -68.25 -45.17 73.94 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 123.232 0.613 . . . . 25.0 111.098 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.14 -35.57 81.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.499 -0.773 . . . . 25.0 111.025 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.8 30.23 3.08 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 116.012 -0.54 . . . . 25.0 109.994 -176.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.23 156.07 26.48 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -136.86 -52.69 0.69 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.61 0.243 . . . . 25.0 111.038 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -79.83 86.42 5.38 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.834 -1.173 . . . . 25.0 107.834 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.15 -27.96 44.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.163 -0.471 . . . . 25.0 111.848 -174.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.79 -36.04 79.74 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.89 -31.53 31.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.586 0.588 . . . . 25.0 112.586 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.24 -41.59 66.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.335 -0.617 . . . . 25.0 109.335 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -80.01 -22.12 42.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.938 0.399 . . . . 25.0 111.469 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -53.18 -33.64 53.49 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.855 -0.611 . . . . 25.0 109.899 171.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 50.6 t -88.01 -47.52 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.485 0.66 . . . . 25.0 111.317 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.3 mmt -69.34 -51.35 37.84 Favored 'General case' 0 CA--C 1.488 -1.414 0 N-CA-C 113.056 0.762 . . . . 25.0 113.056 -172.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -35.27 79.05 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.58 -0.448 . . . . 25.0 109.921 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -59.36 -50.51 73.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.296 -0.631 . . . . 25.0 109.296 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -79.15 -20.59 48.14 Favored 'General case' 0 C--O 1.208 -1.12 0 C-N-CA 119.221 -0.992 . . . . 25.0 111.083 -173.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.36 -28.3 68.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.981 0.42 . . . . 25.0 111.456 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -106.99 -22.44 12.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.463 0.649 . . . . 25.0 111.513 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -96.22 17.13 16.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.793 0.806 . . . . 25.0 109.538 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.39 -19.92 64.93 Favored Glycine 0 C--O 1.215 -1.048 0 N-CA-C 115.309 0.884 . . . . 25.0 115.309 -170.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -91.08 6.31 45.43 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.569 0.7 . . . . 25.0 110.605 -170.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.63 -158.18 34.16 Favored Glycine 0 N--CA 1.418 -2.544 0 N-CA-C 104.439 -3.464 . . . . 25.0 104.439 173.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 2.9 pp20? -151.07 163.96 37.56 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.047 -0.723 . . . . 25.0 109.047 -174.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 m -140.78 164.52 21.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 123.78 0.675 . . . . 25.0 109.381 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -114.62 -174.13 2.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -52.48 -48.26 66.02 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 112.846 0.684 . . . . 25.0 112.846 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.475 ' HB2' HG11 ' A' ' 83' ' ' VAL . 59.4 tt0 -53.96 -48.35 70.41 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 118.442 0.565 . . . . 25.0 110.492 -177.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -74.22 -40.96 62.09 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.382 0.611 . . . . 25.0 109.44 -171.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.418 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -56.07 -41.35 74.98 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.803 -0.635 . . . . 25.0 109.958 178.531 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.91 -38.16 63.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 122.11 -0.369 . . . . 25.0 111.14 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.412 HG22 HG22 ' A' ' 76' ' ' VAL . 54.8 t -58.89 -43.52 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 177.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.59 -35.53 73.06 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.878 0.37 . . . . 25.0 111.111 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -64.05 -44.21 97.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.53 79.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.873 -0.517 . . . . 25.0 110.852 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.18 86.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.112 0.482 . . . . 25.0 110.625 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 tt -72.91 -35.47 67.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.323 0.583 . . . . 25.0 109.945 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.8 m -63.14 -43.79 97.36 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.297 -0.41 . . . . 25.0 111.274 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.533 HG11 ' HB2' ' A' ' 72' ' ' GLN . 24.6 m -66.24 -23.82 32.49 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 177.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 CA-C-O 121.73 0.776 . . . . 25.0 112.396 172.398 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 110.636 -0.135 . . . . 25.0 110.636 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.45 -45.11 95.65 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.24 0.543 . . . . 25.0 110.699 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.434 HD22 HD13 ' B' ' 41' ' ' LEU . 2.3 tt -66.45 -41.34 89.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.548 0.689 . . . . 25.0 110.178 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -64.53 -36.51 84.44 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.605 -0.684 . . . . 25.0 111.384 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -75.41 -28.65 59.49 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.596 -0.441 . . . . 25.0 110.256 177.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.9 99.81 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 173.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.7 mmm -72.74 -33.69 66.54 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.7 -28.06 67.35 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.0 m -64.22 -43.0 96.31 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.421 -0.354 . . . . 25.0 111.207 173.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.76 -37.89 83.38 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.92 -46.26 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.3 -44.45 88.53 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 120.9 0.381 . . . . 25.0 112.007 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.538 HG11 HD12 ' B' ' 4' ' ' LEU . 87.0 t -67.17 -43.48 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.279 -0.418 . . . . 25.0 111.187 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -59.99 -43.57 95.07 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.656 -0.652 . . . . 25.0 110.062 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -69.03 -19.17 64.11 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 -176.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.31 -29.78 69.44 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 122.157 -0.339 . . . . 25.0 111.455 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -109.18 -11.3 14.92 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.862 0.689 . . . . 25.0 112.862 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.9 p . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 121.421 0.629 . . . . 25.0 111.995 -175.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 . . . . . 0 N--CA 1.466 0.354 0 CA-C-O 120.545 0.212 . . . . 25.0 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -130.25 146.3 51.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -174.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -140.88 133.53 28.73 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 109.314 -0.624 . . . . 25.0 109.314 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 3.3 m -69.5 147.39 50.92 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.982 -0.449 . . . . 25.0 111.457 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 -175.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -30.34 53.66 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.913 0.709 . . . . 25.0 112.913 176.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -79.85 -30.26 40.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.408 0.623 . . . . 25.0 110.436 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.446 HD22 HG21 ' A' ' 69' ' ' VAL . 15.3 tp -62.95 -29.43 70.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.165 -0.47 . . . . 25.0 111.002 176.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.518 ' HB2' HD11 ' A' ' 61' ' ' LEU . 35.6 ttpt -61.43 -34.84 76.08 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 120.644 -0.422 . . . . 25.0 110.603 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.29 -45.43 84.43 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.19 -47.1 87.39 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.72 -32.82 73.07 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 121.412 0.625 . . . . 25.0 111.578 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -81.94 -17.59 46.51 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 123.386 0.675 . . . . 25.0 112.048 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -105.26 -51.0 3.1 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.924 0.712 . . . . 25.0 112.924 -175.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -89.27 -17.68 28.52 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.495 0.664 . . . . 25.0 110.195 -174.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -119.7 12.31 12.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.0 -1.0 . . . . 25.0 110.715 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -31.74 7.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 172.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.32 -34.1 46.78 Favored Glycine 0 C--O 1.225 -0.439 0 C-N-CA 120.515 -0.85 . . . . 25.0 111.395 -177.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -76.32 -27.87 56.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -40.15 76.7 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 109.588 -0.523 . . . . 25.0 109.588 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -68.0 -31.16 70.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.898 0.856 . . . . 25.0 110.307 176.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.49 18.39 11.39 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.577 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.88 151.2 35.26 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -133.1 -44.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -84.55 85.97 7.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 m -63.54 -23.82 34.28 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 115.193 -0.912 . . . . 25.0 111.142 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.01 -39.39 63.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.978 0.418 . . . . 25.0 110.779 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.42 -38.37 49.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.206 0.447 . . . . 25.0 112.206 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -63.6 -37.02 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -76.4 -29.57 57.15 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 115.138 -0.937 . . . . 25.0 111.15 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -38.57 86.23 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.822 -0.351 . . . . 25.0 110.802 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.78 -43.64 79.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 122.041 0.924 . . . . 25.0 109.435 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -69.67 -47.7 62.37 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.464 -0.789 . . . . 25.0 112.237 -174.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -37.48 87.72 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.67 -48.61 80.48 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.69 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -78.01 -20.89 51.65 Favored 'General case' 0 C--O 1.209 -1.071 0 C-N-CA 119.043 -1.063 . . . . 25.0 110.356 -174.609 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.68 -26.8 66.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.208 0.527 . . . . 25.0 110.13 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -95.15 -29.23 14.65 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.828 0.823 . . . . 25.0 109.453 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -94.83 25.26 4.19 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.261 -0.882 . . . . 25.0 109.148 177.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.64 18.27 4.83 Favored Glycine 0 C--O 1.216 -0.971 0 CA-C-N 115.815 -0.63 . . . . 25.0 113.381 -176.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -116.76 -3.82 11.68 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.091 0.472 . . . . 25.0 110.104 168.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.98 -156.3 32.61 Favored Glycine 0 N--CA 1.436 -1.362 0 CA-C-O 122.759 1.199 . . . . 25.0 110.52 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -153.93 170.7 20.42 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 113.853 -1.174 . . . . 25.0 110.257 -170.04 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.446 HG21 HD22 ' A' ' 33' ' ' LEU . 2.7 m -144.3 168.92 10.01 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 O-C-N 124.473 1.108 . . . . 25.0 109.559 176.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -121.94 -174.08 2.8 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 104.927 -2.249 . . . . 25.0 104.927 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -54.03 -47.0 72.03 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.494 ' HB2' HG11 ' B' ' 83' ' ' VAL . 60.2 tt0 -55.77 -46.4 77.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.179 0.445 . . . . 25.0 111.155 -177.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -74.5 -37.19 63.19 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.679 0.752 . . . . 25.0 109.911 -173.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -41.24 87.14 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 178.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.92 -35.83 55.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 122.141 -0.35 . . . . 25.0 111.439 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.7 t -57.76 -46.07 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.2 mt -70.32 -36.53 74.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.2 -0.454 . . . . 25.0 110.863 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.6 t -62.85 -44.5 99.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.651 -0.5 . . . . 25.0 109.651 176.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.63 91.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.037 -0.414 . . . . 25.0 110.207 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.8 -43.18 97.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.263 0.554 . . . . 25.0 110.587 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 tt -67.4 -37.01 82.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.425 0.631 . . . . 25.0 109.424 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.7 m -63.34 -43.44 97.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.481 . . . . 25.0 111.797 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.492 HG11 ' HB2' ' B' ' 72' ' ' GLN . 25.4 m -71.03 -23.94 23.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 120.549 -1.344 . . . . 25.0 112.108 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.422 0 CA-C-O 121.51 0.672 . . . . 25.0 111.021 174.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 110.048 -0.352 . . . . 25.0 110.048 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.5 -41.78 95.03 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.014 0.435 . . . . 25.0 110.552 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.538 HD12 HG11 ' A' ' 14' ' ' VAL . 4.0 tt -64.72 -42.66 95.09 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.961 0.886 . . . . 25.0 110.246 177.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.54 -34.94 79.02 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.436 -0.79 . . . . 25.0 112.109 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.4 p -75.57 -26.91 58.32 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.524 -0.47 . . . . 25.0 110.076 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.01 95.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 85.3 mmm -69.82 -33.97 73.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.39 -27.83 65.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.806 -0.758 . . . . 25.0 109.613 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 46.0 m -64.65 -43.41 93.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 25.0 110.323 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -36.42 78.18 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 99.1 mt -64.3 -46.44 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -60.07 -47.29 86.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.708 0.289 . . . . 25.0 111.479 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.87 -44.16 98.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.34 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.57 -48.01 83.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.448 0.642 . . . . 25.0 110.597 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -69.64 -19.7 63.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -173.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.68 95.56 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.655 0.264 . . . . 25.0 111.461 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -93.37 -18.09 22.79 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.513 0.197 . . . . 25.0 111.392 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.3 m -59.65 149.23 31.07 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.129 0 N-CA-C 115.474 0.95 . . . . 25.0 115.474 178.235 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.12 0.486 . . . . 25.0 110.93 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.53 131.11 25.5 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 173.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 1.8 m -66.23 150.22 49.14 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.632 -0.427 . . . . 25.0 111.333 -175.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -61.03 -41.66 96.99 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.857 0.688 . . . . 25.0 112.857 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -30.25 71.01 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.639 1.109 . . . . 25.0 111.177 178.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -79.33 -23.49 43.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.583 0.706 . . . . 25.0 109.563 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.469 HD11 ' HD1' ' B' ' 74' ' ' TYR . 17.3 tp -64.4 -33.25 75.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.431 ' HB2' HD11 ' B' ' 61' ' ' LEU . 32.3 ttpt -63.09 -36.66 84.34 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 116.29 -0.413 . . . . 25.0 110.281 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.55 -47.21 84.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.66 -46.0 92.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.95 -0.568 . . . . 25.0 110.192 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.34 -28.93 69.64 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 121.236 0.541 . . . . 25.0 111.548 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -81.99 -18.69 42.48 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 122.728 0.411 . . . . 25.0 110.187 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 39.4 m -96.98 -51.71 4.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -100.69 -23.0 14.73 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 114.299 1.222 . . . . 25.0 114.299 -173.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.434 HD13 HD22 ' A' ' 4' ' ' LEU . 11.9 tp -104.92 11.13 33.93 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 176.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -38.63 25.06 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 115.483 1.66 . . . . 25.0 115.483 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.68 -31.22 67.81 Favored Glycine 0 C--N 1.322 -0.195 0 O-C-N 121.447 -0.783 . . . . 25.0 112.366 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -74.96 -24.91 58.54 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.616 -0.883 . . . . 25.0 108.616 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.76 -40.05 34.43 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.215 -0.448 . . . . 25.0 111.242 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.94 -34.96 79.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.709 0.766 . . . . 25.0 110.349 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.54 27.99 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.458 -0.792 . . . . 25.0 110.59 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -61.21 150.03 35.75 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.971 -0.752 . . . . 25.0 108.971 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -133.24 -50.71 0.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.187 0.518 . . . . 25.0 110.052 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -81.14 83.86 6.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.27 -1.011 . . . . 25.0 108.27 175.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.9 m -64.2 -30.35 49.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 25.0 111.361 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.49 -32.17 71.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.352 0.596 . . . . 25.0 110.263 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.22 -39.5 23.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.249 -0.432 . . . . 25.0 111.263 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 p -69.52 -40.0 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 -175.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -77.17 -27.22 53.66 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.306 -0.406 . . . . 25.0 110.856 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -55.28 -44.71 75.91 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 110.107 -0.331 . . . . 25.0 110.107 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.0 t -71.66 -41.6 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.601 0.715 . . . . 25.0 109.565 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.1 mmt -68.99 -47.96 64.27 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 115.949 -0.569 . . . . 25.0 112.49 -175.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -36.58 82.13 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.829 -0.348 . . . . 25.0 110.226 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -62.82 -42.9 99.92 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.082 -0.647 . . . . 25.0 110.148 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.55 -21.17 52.97 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 119.769 -0.772 . . . . 25.0 110.271 -178.24 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.52 -27.37 69.1 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.066 0.46 . . . . 25.0 110.462 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -102.97 -25.39 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.409 0.623 . . . . 25.0 111.301 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -97.25 10.45 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.425 0.631 . . . . 25.0 112.196 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.77 -17.33 60.35 Favored Glycine 0 C--O 1.22 -0.746 0 N-CA-C 116.59 1.396 . . . . 25.0 116.59 -169.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -82.89 -7.86 59.62 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.495 0.664 . . . . 25.0 110.453 -172.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.92 -162.91 37.13 Favored Glycine 0 N--CA 1.42 -2.382 0 N-CA-C 106.388 -2.685 . . . . 25.0 106.388 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 3.8 pm0 -143.46 166.76 23.89 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.527 -0.836 . . . . 25.0 110.277 -175.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.04 167.56 25.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 175.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -120.31 -174.1 2.71 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 104.509 -2.404 . . . . 25.0 104.509 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -52.7 -47.58 67.17 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 113.194 0.813 . . . . 25.0 113.194 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.492 ' HB2' HG11 ' A' ' 83' ' ' VAL . 62.3 tt0 -55.53 -48.7 74.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.356 0.525 . . . . 25.0 111.044 -176.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -72.09 -41.54 67.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.722 0.772 . . . . 25.0 109.652 -173.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.469 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -58.86 -40.92 85.75 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.499 -0.773 . . . . 25.0 110.419 -179.444 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 79.0 t -71.18 -36.68 63.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 122.261 -0.275 . . . . 25.0 111.014 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.89 -44.2 93.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.195 0.521 . . . . 25.0 109.683 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.35 -35.71 73.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.084 0.469 . . . . 25.0 111.035 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.7 t -63.36 -42.91 98.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.24 -0.652 . . . . 25.0 109.24 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.58 85.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.944 -0.472 . . . . 25.0 110.724 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -39.4 94.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.496 0.665 . . . . 25.0 110.105 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.14 -32.57 69.13 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.916 -0.49 . . . . 25.0 110.025 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.5 m -65.05 -43.24 92.94 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.994 -0.441 . . . . 25.0 110.85 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.494 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.2 m -71.48 -19.34 20.54 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 O-C-N 121.362 -0.836 . . . . 25.0 111.67 178.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.965 0 CA-C-O 122.047 0.927 . . . . 25.0 112.422 170.083 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.236 0.394 0 N-CA-C 110.226 -0.287 . . . . 25.0 110.226 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.4 -43.42 98.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.803 0.335 . . . . 25.0 110.315 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.432 HD12 HG11 ' B' ' 14' ' ' VAL . 2.6 tt -63.72 -41.83 98.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.904 0.859 . . . . 25.0 110.444 177.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.32 -35.01 79.27 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.297 -0.877 . . . . 25.0 112.259 -175.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.2 p -76.42 -26.51 55.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.591 -0.444 . . . . 25.0 109.861 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.85 92.55 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 172.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.2 mmm -70.26 -32.86 70.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.731 1.012 . . . . 25.0 113.731 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -68.87 -27.66 66.01 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 119.806 -0.758 . . . . 25.0 109.345 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.5 m -64.23 -42.09 96.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.876 0.369 . . . . 25.0 110.155 172.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.83 -34.98 78.45 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -67.1 -47.62 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -58.37 -47.26 84.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 25.0 111.796 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -73.59 -34.28 41.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.559 -0.291 . . . . 25.0 111.45 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.02 -45.45 92.74 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.187 -0.945 . . . . 25.0 108.911 171.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -65.37 -19.06 65.78 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.583 -0.735 . . . . 25.0 112.908 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.39 76.33 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.45 -0.781 . . . . 25.0 111.241 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -95.36 -12.67 25.66 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.444 ' HA ' HD13 ' A' ' 28' ' ' LEU . 92.8 p . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 121.149 0.5 . . . . 25.0 112.25 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 C--O 1.232 0.138 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -133.73 153.75 51.47 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 114.829 -1.078 . . . . 25.0 111.212 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 19' ' ' SER . 10.3 tp -149.36 135.59 19.1 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.4 m -66.43 147.9 52.64 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.995 -0.441 . . . . 25.0 111.059 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -59.88 -48.77 80.35 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.895 1.072 . . . . 25.0 113.895 -174.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -32.45 66.02 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 176.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.19 -24.96 54.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.982 0.42 . . . . 25.0 111.025 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.06 -25.18 64.32 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.769 -0.582 . . . . 25.0 110.72 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HB2' HD11 ' A' ' 61' ' ' LEU . 33.1 ttpt -62.27 -32.57 73.3 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 120.288 -0.565 . . . . 25.0 109.824 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.09 -48.82 76.98 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.53 -46.16 91.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.82 -31.61 72.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.281 0.563 . . . . 25.0 111.57 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.9 -22.05 37.04 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.24 0.616 . . . . 25.0 112.08 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 m -100.34 -51.51 3.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -175.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -94.01 -26.92 16.59 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.441 HD13 HD22 ' B' ' 4' ' ' LEU . 15.3 tp -104.07 11.38 35.31 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.629 -1.249 . . . . 25.0 107.629 176.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -48.79 -40.93 30.83 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 116.078 1.881 . . . . 25.0 116.078 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.83 -37.12 75.2 Favored Glycine 0 C--O 1.229 -0.218 0 C-N-CA 120.401 -0.904 . . . . 25.0 110.927 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -69.12 -31.76 70.69 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.959 -0.73 . . . . 25.0 109.036 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.22 -40.96 74.23 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 123.355 0.41 . . . . 25.0 110.598 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.95 -35.54 80.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.669 0.747 . . . . 25.0 110.828 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.65 30.96 2.43 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.829 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -63.82 159.57 19.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.011 -0.54 . . . . 25.0 109.752 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -133.14 -53.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.484 0.659 . . . . 25.0 110.546 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -83.15 84.1 7.61 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.85 -25.1 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.943 -1.026 . . . . 25.0 112.407 -174.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.06 -43.98 70.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.34 0.591 . . . . 25.0 109.622 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.04 64.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.93 -175.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.58 -38.64 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -80.42 -30.47 37.69 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.264 -0.425 . . . . 25.0 111.152 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -35.47 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.967 -0.458 . . . . 25.0 110.243 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.5 t -72.64 -42.97 62.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -69.16 -47.83 63.92 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 116.176 -0.465 . . . . 25.0 111.951 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -36.0 82.4 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.45 -0.204 . . . . 25.0 110.45 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -61.39 -46.61 89.45 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.071 -0.652 . . . . 25.0 109.531 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -77.09 -21.45 54.3 Favored 'General case' 0 C--O 1.208 -1.108 0 C-N-CA 119.314 -0.954 . . . . 25.0 110.083 -175.286 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.43 -28.13 69.77 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.223 0.535 . . . . 25.0 110.593 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -102.24 -22.85 14.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.497 0.665 . . . . 25.0 110.627 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -95.26 18.04 13.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.39 23.99 2.7 Favored Glycine 0 C--O 1.218 -0.844 0 CA-C-N 115.721 -0.672 . . . . 25.0 113.5 -176.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.85 -10.72 11.65 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 120.734 0.302 . . . . 25.0 110.685 170.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.12 -155.66 31.89 Favored Glycine 0 N--CA 1.436 -1.356 0 CA-C-O 122.896 1.276 . . . . 25.0 111.53 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.3 pt-20 -153.88 162.76 40.96 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 113.747 -1.227 . . . . 25.0 110.039 -170.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 m -142.6 168.64 13.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 123.799 0.687 . . . . 25.0 111.021 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -119.67 -174.18 2.69 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.625 -1.62 . . . . 25.0 106.625 174.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -52.46 -47.47 66.44 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.793 1.035 . . . . 25.0 113.793 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.504 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.6 tt0 -55.76 -46.02 77.96 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.532 0.606 . . . . 25.0 110.911 -177.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.22 -39.65 68.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.997 0.903 . . . . 25.0 109.358 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -39.79 91.8 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.358 -0.837 . . . . 25.0 109.915 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.07 -36.14 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.416 -0.178 . . . . 25.0 110.594 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 72' ' ' GLN . 64.3 t -57.25 -45.25 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 176.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.03 -36.06 72.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.6 -178.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.6 -43.84 96.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.864 -0.421 . . . . 25.0 109.864 176.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.39 83.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.066 -0.396 . . . . 25.0 110.373 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.99 99.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.181 0.515 . . . . 25.0 110.631 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.45 -33.69 71.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.25 0.547 . . . . 25.0 109.944 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.7 m -64.23 -43.73 94.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.097 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.458 HG11 ' HB2' ' B' ' 72' ' ' GLN . 32.2 m -72.39 -19.0 19.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 O-C-N 121.68 -0.638 . . . . 25.0 112.341 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.689 0 CA-C-O 121.865 0.84 . . . . 25.0 111.192 170.467 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 107.978 -1.119 . . . . 25.0 107.978 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -61.18 -35.67 77.79 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.207 0.527 . . . . 25.0 110.733 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.441 HD22 HD13 ' A' ' 41' ' ' LEU . 5.4 tt -63.81 -42.32 97.71 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 121.75 0.786 . . . . 25.0 110.077 176.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -69.35 -35.85 76.3 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 121.707 -0.62 . . . . 25.0 111.467 -175.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.6 p -73.84 -25.34 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.573 -0.451 . . . . 25.0 110.03 175.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.67 92.49 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 173.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 92.6 mmm -70.7 -33.44 70.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.908 0.707 . . . . 25.0 112.908 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.57 -27.01 65.69 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.1 m -64.63 -43.21 94.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.433 -0.349 . . . . 25.0 110.348 173.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.24 -36.82 81.03 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.373 -0.603 . . . . 25.0 109.373 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.7 mt -65.88 -45.5 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -58.9 -45.0 91.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.91 0.386 . . . . 25.0 111.034 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.432 HG11 HD12 ' A' ' 4' ' ' LEU . 76.3 t -67.19 -43.73 88.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 25.0 111.29 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -59.86 -44.17 94.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.406 0.622 . . . . 25.0 109.507 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -68.09 -18.65 64.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.45 89.48 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.897 -0.502 . . . . 25.0 111.62 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -101.87 -16.58 16.52 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 -177.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.7 p -64.55 157.04 27.95 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.345 1.239 . . . . 25.0 114.345 -174.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.283 0 N-CA-C 117.498 1.759 . . . . 25.0 117.498 176.226 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -140.98 129.24 22.27 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 2.0 m -67.47 145.75 54.66 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.303 -0.248 . . . . 25.0 111.109 -177.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -59.26 -46.07 89.5 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.035 1.124 . . . . 25.0 114.035 -174.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -32.72 68.0 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.932 0.787 . . . . 25.0 112.373 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -77.89 -28.42 49.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.592 0.711 . . . . 25.0 110.008 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.421 HD22 HG21 ' B' ' 69' ' ' VAL . 17.5 tp -63.75 -34.5 78.02 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.002 -0.437 . . . . 25.0 110.026 176.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.565 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.9 ttpt -62.16 -34.7 76.91 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 120.387 -0.525 . . . . 25.0 110.669 179.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.97 -47.58 84.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.93 -46.06 92.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.785 -0.643 . . . . 25.0 109.665 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.43 -29.19 70.25 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 121.357 0.598 . . . . 25.0 111.801 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.87 -19.49 40.82 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.199 0.6 . . . . 25.0 110.822 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 45.0 m -99.6 -59.91 1.63 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.643 -0.708 . . . . 25.0 112.267 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -83.94 -27.19 28.69 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 -176.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.407 ' HG ' ' HB2' ' B' ' 44' ' ' PHE . 8.4 tp -106.36 13.61 28.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.621 0.724 . . . . 25.0 109.583 178.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.24 -39.98 57.84 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.566 1.691 . . . . 25.0 115.566 177.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.27 -34.83 63.97 Favored Glycine 0 C--O 1.224 -0.528 0 N-CA-C 110.956 -0.858 . . . . 25.0 110.956 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.407 ' HB2' ' HG ' ' B' ' 41' ' ' LEU . 7.9 m-30 -69.52 -31.03 69.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.91 -0.759 . . . . 25.0 109.04 175.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.87 -39.26 76.44 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.719 0.295 . . . . 25.0 110.503 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -67.96 -30.34 69.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.885 0.85 . . . . 25.0 110.41 176.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.3 29.03 2.99 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 115.58 -0.736 . . . . 25.0 109.304 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -67.07 150.67 48.88 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -138.28 -49.25 0.55 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -78.85 89.57 4.67 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 115.296 -0.865 . . . . 25.0 109.39 172.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.4 ' HA ' HG12 ' B' ' 54' ' ' VAL . 30.3 m -67.95 -24.09 29.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.937 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.14 -39.87 60.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.56 0.695 . . . . 25.0 109.578 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.65 -36.79 37.28 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.394 0.516 . . . . 25.0 112.394 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' B' ' 51' ' ' VAL . 8.7 p -65.29 -39.03 84.06 Favored 'Isoleucine or valine' 0 C--O 1.248 1.005 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -79.11 -24.46 43.4 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 121.911 0.863 . . . . 25.0 111.371 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -60.35 -27.33 67.3 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.571 -0.74 . . . . 25.0 111.15 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -85.52 -45.08 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.578 0.704 . . . . 25.0 109.617 176.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 8.6 mmt -66.8 -54.2 25.04 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.934 -0.575 . . . . 25.0 112.543 -173.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -35.33 79.94 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 121.159 -0.216 . . . . 25.0 110.584 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.21 -49.34 78.0 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.505 -0.478 . . . . 25.0 109.989 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -76.8 -20.38 56.47 Favored 'General case' 0 C--O 1.209 -1.036 0 C-N-CA 119.521 -0.871 . . . . 25.0 109.894 -175.135 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.55 -26.44 67.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 25.0 110.432 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -100.54 -26.59 13.79 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.555 0.693 . . . . 25.0 110.348 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -95.39 21.98 7.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 25.0 109.669 177.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.54 24.23 2.7 Favored Glycine 0 C--O 1.215 -1.073 0 CA-C-N 115.726 -0.67 . . . . 25.0 112.826 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -115.86 -7.78 12.0 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 122.586 -0.361 . . . . 25.0 111.287 170.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.82 -157.86 32.82 Favored Glycine 0 N--CA 1.435 -1.428 0 N-CA-C 109.619 -1.392 . . . . 25.0 109.619 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 12.3 pt-20 -151.96 164.61 36.8 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.127 -1.037 . . . . 25.0 110.363 -174.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.421 HG21 HD22 ' B' ' 33' ' ' LEU . 3.0 m -135.33 172.74 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.449 -0.796 . . . . 25.0 109.479 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -119.9 -174.07 2.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.127 -1.805 . . . . 25.0 106.127 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -54.79 -47.01 74.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.287 0.847 . . . . 25.0 113.287 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.458 ' HB2' HG11 ' A' ' 83' ' ' VAL . 64.9 tt0 -55.25 -48.09 74.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 118.186 0.448 . . . . 25.0 110.917 -177.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -68.48 -43.76 76.24 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 108.669 -0.863 . . . . 25.0 108.669 -173.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -41.04 82.61 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.275 -0.875 . . . . 25.0 110.571 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.2 t -71.78 -36.62 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 122.171 -0.331 . . . . 25.0 111.076 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.426 HG22 HG22 ' A' ' 76' ' ' VAL . 54.0 t -60.21 -43.97 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 109.638 -0.504 . . . . 25.0 109.638 177.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.2 mt -69.76 -36.62 75.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.094 0.473 . . . . 25.0 110.788 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.7 t -62.16 -44.72 99.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.164 -0.68 . . . . 25.0 109.164 175.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.87 88.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.018 -0.426 . . . . 25.0 110.679 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.55 98.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.5 0.667 . . . . 25.0 110.503 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.35 -33.27 72.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.312 0.577 . . . . 25.0 110.099 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 51.0 m -65.11 -45.1 86.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.295 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.8 m -71.38 -22.13 22.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 O-C-N 121.343 -0.848 . . . . 25.0 111.431 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.965 0 CA-C-O 121.472 0.653 . . . . 25.0 111.296 172.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 N--CA 1.467 0.425 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.23 -44.06 95.52 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.404 0.621 . . . . 25.0 110.831 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.446 HD22 HD13 ' B' ' 41' ' ' LEU . 3.8 tt -65.54 -41.77 92.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.907 0.86 . . . . 25.0 109.648 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.18 -34.79 76.94 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 121.348 -0.845 . . . . 25.0 111.598 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 p -71.3 -27.89 63.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 120.113 -0.635 . . . . 25.0 109.775 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.03 -46.77 82.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.3 mmm -71.81 -32.78 67.94 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.064 0.764 . . . . 25.0 113.064 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -69.8 -25.86 63.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.8 m -67.44 -42.91 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.081 -0.387 . . . . 25.0 110.615 171.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.44 -34.5 74.07 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.21 -48.7 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -57.63 -50.36 73.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.073 0.463 . . . . 25.0 110.436 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.72 -45.78 97.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.631 -0.713 . . . . 25.0 112.279 -177.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -61.2 -47.86 84.18 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.674 -0.641 . . . . 25.0 110.535 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -74.08 -13.87 60.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -174.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.61 -54.18 48.96 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 117.995 0.361 . . . . 25.0 111.481 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.306 13.9 p80 -126.91 30.05 5.54 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 177.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 p . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 113.852 -1.522 . . . . 25.0 108.426 162.138 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--O 1.236 0.358 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.15 159.37 37.03 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.959 -0.564 . . . . 25.0 110.525 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 33' ' ' LEU . 14.3 tp -147.87 134.66 20.04 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 172.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 8.6 m -66.6 146.59 54.33 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 -177.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -55.8 -50.36 70.69 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.441 0.904 . . . . 25.0 113.441 -176.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HD2' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -58.62 -30.07 66.99 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.349 0.522 . . . . 25.0 112.255 177.098 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.5 -26.24 38.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.363 0.601 . . . . 25.0 110.378 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 28' ' ' LEU . 14.4 tp -67.26 -33.59 75.64 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 121.594 -0.691 . . . . 25.0 109.325 176.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HB2' HD11 ' A' ' 61' ' ' LEU . 32.1 ttpt -56.48 -36.71 69.42 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 120.826 -0.35 . . . . 25.0 110.653 176.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.5 -48.09 81.1 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.36 -43.62 98.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.628 0.728 . . . . 25.0 110.446 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.3 mt -65.66 -31.11 71.95 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.71 -0.677 . . . . 25.0 112.388 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -81.83 -22.58 36.93 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 123.028 0.531 . . . . 25.0 109.807 -178.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.1 m -88.29 -51.62 5.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.796 -0.638 . . . . 25.0 111.333 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -90.37 -44.84 9.4 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.31 0.856 . . . . 25.0 113.31 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.449 HD13 HD22 ' B' ' 4' ' ' LEU . 10.5 tp -86.27 8.26 21.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.264 0.554 . . . . 25.0 110.406 -177.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.13 -36.73 8.81 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 115.574 1.694 . . . . 25.0 115.574 175.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.35 -36.77 63.16 Favored Glycine 0 C--O 1.223 -0.557 0 C-N-CA 120.525 -0.845 . . . . 25.0 111.711 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -72.88 -28.13 62.31 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.771 -0.826 . . . . 25.0 108.771 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.75 -40.59 84.08 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 177.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.36 -31.6 67.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.599 0.714 . . . . 25.0 111.392 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.58 20.99 4.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 -176.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.69 153.29 28.6 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.265 -0.425 . . . . 25.0 109.931 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -133.73 -46.42 0.8 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.368 -0.975 . . . . 25.0 108.368 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -83.56 87.82 7.02 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.072 -1.084 . . . . 25.0 108.072 174.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.33 -28.24 44.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.555 -0.748 . . . . 25.0 110.148 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.8 -41.14 79.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.99 -37.99 33.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.024 -0.534 . . . . 25.0 112.145 -175.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.4 -39.23 84.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.328 -0.989 . . . . 25.0 108.328 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -80.42 -30.0 37.67 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.019 -0.537 . . . . 25.0 110.029 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -58.06 -42.75 86.13 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 120.522 -0.471 . . . . 25.0 109.965 176.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.7 t -69.01 -40.69 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 108.561 -0.903 . . . . 25.0 108.561 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mmt -67.66 -52.22 40.59 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.584 -0.734 . . . . 25.0 111.751 -177.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -38.97 93.1 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 121.04 -0.264 . . . . 25.0 110.571 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -60.41 -42.23 95.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.104 -0.332 . . . . 25.0 110.104 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.96 -24.35 43.96 Favored 'General case' 0 C--O 1.206 -1.221 0 C-N-CA 118.858 -1.137 . . . . 25.0 110.455 -178.452 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.75 -26.6 66.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.167 0.508 . . . . 25.0 110.53 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -93.09 -24.18 18.38 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 122.017 0.913 . . . . 25.0 108.71 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -95.14 17.7 13.64 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.64 32.52 2.13 Favored Glycine 0 C--O 1.216 -1.004 0 CA-C-N 115.873 -0.603 . . . . 25.0 113.506 -173.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -115.81 -29.87 6.27 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.356 -0.422 . . . . 25.0 110.225 174.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.51 -151.33 13.19 Favored Glycine 0 N--CA 1.441 -1.025 0 CA-C-O 122.755 1.197 . . . . 25.0 111.828 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 15.3 pt-20 -151.18 165.23 34.56 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.843 -1.178 . . . . 25.0 110.252 -169.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.46 HG21 HD22 ' A' ' 33' ' ' LEU . 5.4 m -135.89 175.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.25 -0.886 . . . . 25.0 110.027 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -127.91 -174.28 3.16 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.315 -2.106 . . . . 25.0 105.315 174.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -52.11 -49.19 64.13 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.493 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.4 tt0 -55.59 -44.92 77.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.655 0.661 . . . . 25.0 111.156 -176.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -42.21 70.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.11 0.957 . . . . 25.0 109.947 -176.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -38.35 82.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.249 -0.887 . . . . 25.0 110.179 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.8 t -71.83 -35.83 56.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.613 0.244 . . . . 25.0 110.678 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 72' ' ' GLN . 79.0 t -58.69 -45.73 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 177.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.39 -37.8 77.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.17 0.51 . . . . 25.0 111.022 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.5 t -61.54 -45.58 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.77 88.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.1 -0.375 . . . . 25.0 110.624 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.34 99.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.262 0.553 . . . . 25.0 110.745 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 tt -69.35 -38.08 77.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.69 0.757 . . . . 25.0 110.064 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.8 m -58.49 -44.33 89.36 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.962 -0.563 . . . . 25.0 111.294 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.7 m -73.09 -25.64 21.99 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 122.268 1.032 . . . . 25.0 109.676 174.418 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 110.913 -0.032 . . . . 25.0 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -61.42 -45.02 96.08 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.345 0.593 . . . . 25.0 110.589 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.449 HD22 HD13 ' A' ' 41' ' ' LEU . 3.6 tt -65.64 -40.28 92.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.195 0.997 . . . . 25.0 109.807 178.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -69.05 -35.67 76.82 Favored 'General case' 0 C--N 1.314 -0.95 0 O-C-N 121.536 -0.727 . . . . 25.0 111.957 -175.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -73.06 -29.73 63.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.3 86.7 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 173.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.8 mmm -73.27 -31.03 63.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -71.7 -24.95 61.9 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.1 m -66.23 -43.29 87.07 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.165 -0.334 . . . . 25.0 110.157 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.82 -33.68 73.39 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.052 -0.722 . . . . 25.0 109.052 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 69.7 mt -66.24 -47.28 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -58.39 -50.13 74.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.383 0.611 . . . . 25.0 110.319 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.06 -43.49 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.444 -0.798 . . . . 25.0 112.03 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -59.36 -47.35 85.75 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.676 -0.64 . . . . 25.0 109.733 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -73.85 -14.23 61.05 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.016 1.117 . . . . 25.0 114.016 -174.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.31 93.98 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 174.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -99.39 -17.1 18.16 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.413 0.894 . . . . 25.0 113.413 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.5 p -63.5 164.84 8.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.029 0.752 . . . . 25.0 113.029 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.304 0 N-CA-C 114.814 0.686 . . . . 25.0 114.814 177.493 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.251 0.548 . . . . 25.0 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -148.86 135.37 19.53 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.817 -1.549 . . . . 25.0 106.817 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.456 ' HB2' ' HD3' ' B' ' 31' ' ' LYS . 0.2 OUTLIER -65.94 150.79 48.08 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 178.239 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -62.73 -39.3 93.66 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.456 ' HD3' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -67.1 -29.39 69.12 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.95 1.25 . . . . 25.0 109.325 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -79.93 -24.57 40.97 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.307 -0.86 . . . . 25.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.455 HD22 HG21 ' B' ' 69' ' ' VAL . 25.9 tp -66.43 -35.63 80.77 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 121.263 0.554 . . . . 25.0 109.645 175.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.518 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.7 ttpt -60.72 -32.58 71.83 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.496 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -62.17 -47.37 84.83 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.67 -46.78 88.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.653 0.74 . . . . 25.0 109.158 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mp -63.73 -31.8 73.09 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 115.734 -0.666 . . . . 25.0 111.369 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -81.05 -22.7 39.1 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.976 -0.452 . . . . 25.0 111.054 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 62.6 m -88.68 -51.6 5.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.774 -0.648 . . . . 25.0 111.548 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -95.57 -44.14 7.63 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.446 HD13 HD22 ' A' ' 4' ' ' LEU . 9.7 tp -84.64 9.83 12.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.727 0.775 . . . . 25.0 109.943 -178.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.5 -34.91 26.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 115.125 1.528 . . . . 25.0 115.125 175.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.9 63.46 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.269 -0.967 . . . . 25.0 111.222 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -70.8 -25.53 62.91 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.04 -0.683 . . . . 25.0 109.357 176.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.2 mt -76.86 -39.62 50.51 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 117.059 -0.064 . . . . 25.0 111.045 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.66 -36.58 80.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.722 0.772 . . . . 25.0 110.601 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.96 29.76 5.24 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.748 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -62.57 159.8 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.101 -0.5 . . . . 25.0 110.013 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -135.4 -52.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.519 -0.31 . . . . 25.0 110.956 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -79.06 91.16 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.807 -0.812 . . . . 25.0 108.807 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.8 -26.8 37.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.169 -0.469 . . . . 25.0 111.381 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.05 -42.82 56.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.5 -0.556 . . . . 25.0 109.5 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.42 55.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 -176.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.48 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.406 -0.961 . . . . 25.0 108.406 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -80.53 -27.34 37.64 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.393 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -38.19 68.15 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 176.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.1 t -74.46 -43.4 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.316 0.579 . . . . 25.0 109.674 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.7 mmt -70.27 -50.5 38.91 Favored 'General case' 0 CA--C 1.496 -1.121 0 N-CA-C 112.826 0.676 . . . . 25.0 112.826 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -35.89 81.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.102 -0.333 . . . . 25.0 110.102 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.25 -47.42 86.13 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.298 -0.561 . . . . 25.0 109.593 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.12 -21.69 53.81 Favored 'General case' 0 C--O 1.204 -1.342 0 C-N-CA 119.316 -0.953 . . . . 25.0 110.342 -175.649 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.75 -28.08 68.44 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.984 0.421 . . . . 25.0 111.16 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -108.06 -15.55 14.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.313 0.578 . . . . 25.0 111.616 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -102.64 13.68 33.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.483 0.659 . . . . 25.0 109.335 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.08 -18.65 60.49 Favored Glycine 0 C--O 1.221 -0.686 0 N-CA-C 115.587 0.995 . . . . 25.0 115.587 -169.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.98 5.34 51.42 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.776 0.798 . . . . 25.0 111.328 -171.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.49 -160.39 36.29 Favored Glycine 0 N--CA 1.416 -2.669 1 N-CA-C 102.803 -4.119 . . . . 25.0 102.803 171.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.73 161.24 42.61 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 122.3 -0.529 . . . . 25.0 109.88 -175.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.455 HG21 HD22 ' B' ' 33' ' ' LEU . 5.2 m -135.56 165.62 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 114.47 -1.241 . . . . 25.0 109.543 -178.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -118.67 -174.26 2.65 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 105.93 -1.878 . . . . 25.0 105.93 175.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -52.43 -47.22 66.51 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.446 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.6 tt0 -54.22 -47.57 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.177 0.444 . . . . 25.0 111.395 -177.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -44.65 65.56 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.998 0.904 . . . . 25.0 109.602 -175.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.454 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -56.27 -39.68 73.01 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.964 -1.016 . . . . 25.0 110.376 -178.348 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.7 t -72.18 -36.87 57.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 122.426 -0.172 . . . . 25.0 110.891 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.424 HG22 HG22 ' A' ' 76' ' ' VAL . 55.9 t -60.85 -44.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.317 0.58 . . . . 25.0 109.839 177.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.6 mt -69.57 -37.39 76.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.175 0.512 . . . . 25.0 110.356 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 t -63.12 -42.66 97.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.968 -0.56 . . . . 25.0 109.597 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.34 85.26 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.988 -0.445 . . . . 25.0 110.671 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.88 98.22 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.174 0.511 . . . . 25.0 110.363 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.52 -35.61 75.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.516 0.674 . . . . 25.0 109.852 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 63.0 m -62.1 -42.9 99.68 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.05 -0.406 . . . . 25.0 111.39 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.5 m -72.88 -23.86 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 121.292 -0.88 . . . . 25.0 112.053 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 122.605 1.193 . . . . 25.0 109.121 172.483 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 110.538 -0.171 . . . . 25.0 110.538 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -62.42 -46.41 88.68 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.419 0.628 . . . . 25.0 110.652 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.58 -40.05 94.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.96 0.886 . . . . 25.0 109.661 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -69.64 -35.29 75.08 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.831 -0.543 . . . . 25.0 112.305 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -73.84 -29.66 62.25 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.36 93.98 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 108.015 -1.106 . . . . 25.0 108.015 173.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.2 mmm -72.22 -32.65 66.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.739 1.014 . . . . 25.0 113.739 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.37 -23.8 61.97 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.844 -0.798 . . . . 25.0 108.844 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.2 m -65.57 -42.8 91.36 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.456 -0.338 . . . . 25.0 110.567 171.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.96 -35.01 74.06 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.06 -43.51 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.42 -45.22 94.4 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.547 0.689 . . . . 25.0 110.757 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG11 HD12 ' B' ' 4' ' ' LEU . 76.5 t -64.59 -44.57 96.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.537 -0.756 . . . . 25.0 111.14 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.01 -43.42 98.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.642 -0.661 . . . . 25.0 110.16 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -61.02 -25.3 66.81 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.496 0.718 . . . . 25.0 112.164 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.55 99.48 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.814 -0.554 . . . . 25.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -103.15 -18.07 15.09 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 113.86 1.059 . . . . 25.0 113.86 -174.727 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 110.356 -0.239 . . . . 25.0 110.356 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -125.74 145.06 50.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.391 0.615 . . . . 25.0 112.634 -177.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.19 129.56 17.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.612 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.2 m -63.58 144.66 56.82 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -61.03 -47.4 86.56 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.599 0.963 . . . . 25.0 113.599 -173.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -31.43 67.08 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 120.88 0.371 . . . . 25.0 111.821 178.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -76.3 -29.81 57.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.446 0.641 . . . . 25.0 109.388 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.515 HD11 ' HD1' ' A' ' 74' ' ' TYR . 27.5 tp -68.22 -27.14 66.12 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 121.889 -0.507 . . . . 25.0 111.694 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.555 ' HB2' HD11 ' A' ' 61' ' ' LEU . 31.9 ttpt -62.1 -30.59 71.12 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.012 -0.675 . . . . 25.0 110.36 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -66.97 -47.37 71.78 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.36 -44.08 95.93 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.946 -0.57 . . . . 25.0 109.606 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.0 mt -63.54 -28.71 70.13 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 121.084 0.469 . . . . 25.0 111.519 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -81.7 -22.49 37.38 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 122.009 -0.432 . . . . 25.0 111.604 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.2 m -97.19 -52.79 3.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.676 -0.693 . . . . 25.0 112.843 -174.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -89.09 -31.33 18.08 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 121.096 0.474 . . . . 25.0 112.074 -177.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 41' ' ' LEU . 7.2 tp -100.57 11.89 38.51 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.623 0.725 . . . . 25.0 109.811 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -42.09 24.83 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 116.128 1.899 . . . . 25.0 116.128 175.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.39 -30.08 61.0 Favored Glycine 0 C--O 1.226 -0.367 0 N-CA-C 110.944 -0.862 . . . . 25.0 110.944 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -71.46 -31.6 67.35 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 174.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.5 -40.42 77.0 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.62 -34.41 78.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.568 0.699 . . . . 25.0 111.348 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.99 28.71 4.22 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 116.026 -0.534 . . . . 25.0 110.124 -177.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.57 154.26 36.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -129.25 -50.41 1.19 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.428 0.633 . . . . 25.0 109.668 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -83.57 80.84 8.98 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.681 -1.229 . . . . 25.0 107.681 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.34 -23.75 33.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 114.985 -1.007 . . . . 25.0 112.422 -175.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.68 -40.81 61.18 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.387 -0.525 . . . . 25.0 110.039 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.45 -35.91 53.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.843 -0.535 . . . . 25.0 112.133 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -61.64 -37.4 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.007 -1.108 . . . . 25.0 108.007 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.83 -32.2 63.58 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 114.273 -1.331 . . . . 25.0 111.17 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -32.1 72.32 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.407 -0.517 . . . . 25.0 111.866 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -70.67 -42.46 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 107.699 -1.222 . . . . 25.0 107.699 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 mmt -66.46 -48.0 71.32 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 115.071 -0.968 . . . . 25.0 112.444 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -38.07 88.33 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.69 -179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -60.87 -45.79 93.16 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.68 -23.27 45.73 Favored 'General case' 0 C--O 1.201 -1.476 0 C-N-CA 118.65 -1.22 . . . . 25.0 109.25 -172.538 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.65 -21.65 65.36 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.938 -0.476 . . . . 25.0 112.085 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.29 -25.11 14.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.457 0.646 . . . . 25.0 110.48 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -96.97 13.29 29.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.037 0.923 . . . . 25.0 109.577 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.87 35.93 2.7 Favored Glycine 0 CA--C 1.496 -1.101 0 CA-C-N 115.048 -0.978 . . . . 25.0 113.432 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -115.44 -26.91 7.36 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 172.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.59 -156.66 32.72 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 108.853 -1.699 . . . . 25.0 108.853 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 7.8 mp0 -141.54 158.62 43.61 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 113.66 -1.27 . . . . 25.0 110.243 -173.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.01 172.9 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 114.673 -1.149 . . . . 25.0 109.286 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -116.03 -174.53 2.56 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.401 -1.333 . . . . 25.0 107.401 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -53.97 -46.53 71.68 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 113.045 0.757 . . . . 25.0 113.045 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.497 ' O ' HG23 ' A' ' 76' ' ' VAL . 64.8 tt0 -55.44 -45.6 76.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 118.382 0.537 . . . . 25.0 111.058 -177.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -74.25 -37.69 63.7 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.969 0.89 . . . . 25.0 110.059 -174.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.515 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -59.58 -39.19 83.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.455 -0.793 . . . . 25.0 109.032 178.325 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 76.4 t -72.9 -36.54 52.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 122.439 -0.163 . . . . 25.0 110.805 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 72' ' ' GLN . 68.2 t -57.36 -46.74 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 176.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.8 -37.64 79.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.066 0.46 . . . . 25.0 111.184 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 t -63.41 -44.91 99.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.788 -0.449 . . . . 25.0 109.788 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.25 84.19 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.91 -0.494 . . . . 25.0 110.177 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.88 95.08 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.075 0.464 . . . . 25.0 110.639 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.91 -36.11 75.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.133 0.492 . . . . 25.0 109.741 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.2 m -63.98 -43.4 95.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.361 -0.382 . . . . 25.0 111.763 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.598 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.3 m -67.01 -23.68 31.19 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 O-C-N 121.48 -0.762 . . . . 25.0 112.715 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.841 0 CA-C-O 121.492 0.663 . . . . 25.0 111.976 171.845 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -59.84 -44.76 93.91 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.28 0.562 . . . . 25.0 111.246 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.408 HD12 HG11 ' A' ' 14' ' ' VAL . 2.2 tt -65.9 -39.57 90.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.832 0.825 . . . . 25.0 110.141 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.63 -38.45 89.43 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.495 -0.753 . . . . 25.0 111.223 -177.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.8 p -72.54 -27.89 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.165 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.8 80.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 174.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.6 mmm -71.58 -31.82 67.38 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.08 -28.47 67.39 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.9 m -65.86 -43.19 89.13 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 122.116 -0.365 . . . . 25.0 110.327 172.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.02 -36.02 80.31 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.9 mt -66.55 -47.7 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -57.6 -50.94 71.5 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.253 0.549 . . . . 25.0 111.262 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.76 -34.02 58.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-N 115.841 -0.618 . . . . 25.0 112.141 -175.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.26 -45.66 92.32 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.224 -0.922 . . . . 25.0 109.074 171.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -67.59 -16.54 64.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.484 -0.78 . . . . 25.0 112.652 -176.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.85 -42.67 73.24 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.623 -0.673 . . . . 25.0 110.757 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -95.8 -12.37 25.41 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.449 ' HA ' ' HG ' ' B' ' 28' ' ' LEU . 82.3 p -64.39 160.22 19.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.649 0.738 . . . . 25.0 111.684 -177.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.662 0 C-N-CA 120.583 -0.817 . . . . 25.0 114.577 178.679 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm . . . . . 0 CA--C 1.515 -0.372 0 CA-C-O 121.172 0.51 . . . . 25.0 110.632 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.449 ' HG ' ' HA ' ' B' ' 19' ' ' SER . 0.0 OUTLIER -142.21 136.02 29.49 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 106.113 -1.81 . . . . 25.0 106.113 178.41 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.55 150.93 45.6 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -63.68 -42.29 98.06 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 113.937 1.088 . . . . 25.0 113.937 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -29.92 71.0 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.038 -1.039 . . . . 25.0 109.678 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -80.56 -24.08 39.49 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.551 -0.749 . . . . 25.0 110.365 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.477 HD11 ' HD1' ' B' ' 74' ' ' TYR . 17.0 tp -66.25 -36.6 83.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.703 -0.623 . . . . 25.0 109.633 175.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.526 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.2 ttpt -61.2 -32.76 72.53 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.288 -0.415 . . . . 25.0 110.394 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -62.58 -47.65 82.88 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.15 -46.48 88.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.665 0.745 . . . . 25.0 109.343 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mp -64.17 -32.33 73.87 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.698 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.9 -22.32 36.9 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.828 -0.545 . . . . 25.0 110.834 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 66.4 m -86.75 -50.54 6.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.852 -0.613 . . . . 25.0 111.323 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.87 -45.08 6.44 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.609 0.966 . . . . 25.0 113.609 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.0 tp -83.75 9.32 12.11 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.643 0.735 . . . . 25.0 109.743 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -37.0 43.4 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 114.946 1.462 . . . . 25.0 114.946 175.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.02 -37.17 73.46 Favored Glycine 0 C--O 1.229 -0.194 0 C-N-CA 120.33 -0.938 . . . . 25.0 110.818 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -71.01 -30.0 66.11 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.883 -0.775 . . . . 25.0 109.308 176.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.99 -41.16 78.22 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.844 -0.428 . . . . 25.0 109.844 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -67.39 -32.94 74.18 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.468 0.652 . . . . 25.0 111.559 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.68 29.39 4.52 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 116.06 -0.518 . . . . 25.0 110.502 -176.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -64.86 153.6 39.71 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -124.95 -53.21 1.65 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 175.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -81.05 84.25 6.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.686 0.755 . . . . 25.0 109.373 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.9 m -62.51 -23.78 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.11 -0.95 . . . . 25.0 112.614 -175.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -75.56 -39.08 58.68 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.884 -0.51 . . . . 25.0 110.28 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.76 -38.53 58.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.774 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -63.22 -37.61 79.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 122.061 0.934 . . . . 25.0 108.621 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -76.02 -30.47 58.5 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.797 -1.092 . . . . 25.0 111.327 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -36.0 81.17 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.547 -0.461 . . . . 25.0 111.594 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.02 -43.03 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 122.195 0.998 . . . . 25.0 108.765 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.5 mmt -68.54 -49.59 58.36 Favored 'General case' 0 CA--C 1.493 -1.238 0 CA-C-N 115.122 -0.945 . . . . 25.0 112.766 -175.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -35.08 79.59 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 123.101 0.251 . . . . 25.0 110.341 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.19 -48.42 81.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.915 -0.772 . . . . 25.0 108.915 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.3 OUTLIER -79.69 -19.55 48.68 Favored 'General case' 0 C--O 1.21 -1.001 0 C-N-CA 119.354 -0.938 . . . . 25.0 111.357 -174.252 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -60.29 -28.93 68.49 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.082 0.468 . . . . 25.0 111.102 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -108.19 -22.07 12.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.333 0.587 . . . . 25.0 111.804 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -96.93 14.04 26.8 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.614 0.721 . . . . 25.0 110.29 178.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.17 -21.85 59.97 Favored Glycine 0 C--O 1.22 -0.762 0 N-CA-C 115.412 0.925 . . . . 25.0 115.412 -171.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.65 4.65 50.8 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.831 0.824 . . . . 25.0 110.617 -172.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.28 -157.53 33.53 Favored Glycine 0 N--CA 1.418 -2.554 0 N-CA-C 104.259 -3.536 . . . . 25.0 104.259 172.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -152.36 168.25 26.06 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 122.23 -0.571 . . . . 25.0 109.513 -174.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.66 167.16 18.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.135 -0.938 . . . . 25.0 109.124 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -119.64 -174.33 2.72 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 105.595 -2.002 . . . . 25.0 105.595 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -52.79 -47.74 67.37 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.598 ' HB2' HG11 ' A' ' 83' ' ' VAL . 62.1 tt0 -53.94 -47.5 71.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.392 0.542 . . . . 25.0 110.99 -177.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -71.89 -44.5 63.64 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 121.834 0.826 . . . . 25.0 109.057 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.477 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -55.67 -40.39 72.22 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.129 -0.941 . . . . 25.0 110.188 -178.573 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -72.75 -38.11 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 122.28 -0.263 . . . . 25.0 111.194 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 76' ' ' VAL . 53.6 t -59.73 -43.32 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.155 0.502 . . . . 25.0 109.699 177.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.84 -35.91 75.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.091 0.472 . . . . 25.0 110.831 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.3 t -64.56 -43.04 96.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 175.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.61 79.88 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.904 -0.498 . . . . 25.0 111.098 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.66 98.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.367 0.603 . . . . 25.0 110.207 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.17 -35.64 76.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.207 0.527 . . . . 25.0 109.81 177.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.2 m -63.86 -43.79 95.04 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.873 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.487 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.6 m -70.45 -23.83 24.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 O-C-N 121.548 -0.72 . . . . 25.0 111.992 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.765 0 CA-C-O 121.598 0.713 . . . . 25.0 111.836 172.816 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 108.852 -0.795 . . . . 25.0 108.852 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.5 -40.27 93.97 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.443 0.639 . . . . 25.0 112.262 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.44 HD12 HG11 ' B' ' 14' ' ' VAL . 4.5 tt -66.69 -39.37 88.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 122.244 1.021 . . . . 25.0 108.818 177.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -70.08 -35.66 74.35 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 121.615 -0.678 . . . . 25.0 111.905 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.9 p -72.25 -31.26 65.64 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 176.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.86 83.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 174.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.8 mmm -71.71 -31.71 67.02 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.66 -27.54 65.12 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.586 -0.696 . . . . 25.0 109.208 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.6 m -62.89 -44.2 96.75 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.878 0.371 . . . . 25.0 110.002 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.37 -37.07 84.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.29 -47.74 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.6 -50.17 74.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.183 0.516 . . . . 25.0 111.526 -176.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.02 -34.87 66.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 115.867 -0.606 . . . . 25.0 111.763 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -62.1 -43.78 98.1 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.203 -0.935 . . . . 25.0 109.538 172.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -67.89 -14.45 62.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.73 82.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 120.811 -0.355 . . . . 25.0 110.779 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -96.24 -15.2 22.14 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.942 0.401 . . . . 25.0 111.88 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 121.474 0.654 . . . . 25.0 111.302 -176.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 CA--C 1.521 -0.154 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -127.74 156.76 41.92 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.76 -0.655 . . . . 25.0 110.306 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.47 136.62 29.61 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 105.86 -1.904 . . . . 25.0 105.86 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.15 149.63 49.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.316 0.507 . . . . 25.0 110.18 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.89 -44.16 90.53 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.409 0.522 . . . . 25.0 112.409 -176.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -30.23 71.1 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.83 0.741 . . . . 25.0 110.459 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -76.85 -29.51 55.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.433 -0.803 . . . . 25.0 109.442 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.513 HD11 ' HD1' ' A' ' 74' ' ' TYR . 28.4 tp -68.58 -28.94 67.39 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.68 -0.637 . . . . 25.0 110.839 176.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.612 ' HB2' HD11 ' A' ' 61' ' ' LEU . 29.0 ttpt -59.17 -33.67 71.2 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.07 -0.652 . . . . 25.0 110.224 177.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.64 -48.99 72.81 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 177.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.46 -43.46 93.21 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 121.338 0.59 . . . . 25.0 109.605 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.61 -32.73 74.29 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 121.179 0.514 . . . . 25.0 111.811 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -81.69 -22.43 37.45 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.845 -0.534 . . . . 25.0 111.778 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.0 m -101.55 -51.08 3.55 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -174.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -88.29 -38.01 15.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.952 0.406 . . . . 25.0 111.022 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.505 HD13 HD22 ' B' ' 4' ' ' LEU . 14.7 tp -93.01 8.66 38.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.428 -0.953 . . . . 25.0 108.428 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -45.92 -41.15 11.13 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 115.62 1.711 . . . . 25.0 115.62 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.16 -27.83 73.58 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.025 -1.083 . . . . 25.0 112.344 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -75.83 -28.09 58.12 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.599 -0.942 . . . . 25.0 109.409 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.53 -37.03 63.17 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 118.398 0.545 . . . . 25.0 110.163 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.25 -32.02 73.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.789 0.804 . . . . 25.0 109.97 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.1 28.06 8.41 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.45 -0.795 . . . . 25.0 111.433 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -61.89 152.82 30.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -125.76 -48.22 1.65 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -83.82 90.09 7.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.258 0.552 . . . . 25.0 109.893 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.22 -25.76 36.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.725 -176.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -76.63 -45.14 31.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.049 -0.722 . . . . 25.0 109.049 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.61 -38.26 67.85 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.14 -40.89 89.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -80.22 -30.72 38.62 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.5 -175.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.78 -35.6 68.88 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.304 -0.407 . . . . 25.0 110.631 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.5 t -77.1 -41.89 31.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.488 0.661 . . . . 25.0 109.398 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 mmt -68.06 -51.75 43.08 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 112.577 0.584 . . . . 25.0 112.577 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -34.3 77.76 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.882 -0.327 . . . . 25.0 110.32 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.16 -43.77 97.35 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.928 -0.483 . . . . 25.0 110.278 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -78.28 -23.25 47.29 Favored 'General case' 0 C--O 1.21 -1.012 0 C-N-CA 119.139 -1.024 . . . . 25.0 110.835 -178.465 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.52 -28.14 63.22 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.408 0.522 . . . . 25.0 112.408 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -107.4 -20.56 13.23 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.514 0.673 . . . . 25.0 111.718 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -97.56 13.67 29.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.57 0.7 . . . . 25.0 109.682 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.93 -12.11 70.74 Favored Glycine 0 C--O 1.216 -0.974 0 N-CA-C 117.614 1.806 . . . . 25.0 117.614 -167.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -91.12 6.9 43.12 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 122.003 0.906 . . . . 25.0 111.068 -170.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.61 -159.67 33.83 Favored Glycine 0 N--CA 1.416 -2.634 0 N-CA-C 103.725 -3.75 . . . . 25.0 103.725 174.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -148.86 165.13 32.42 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 122.312 -0.522 . . . . 25.0 110.168 -174.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.91 168.94 17.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.571 -0.74 . . . . 25.0 109.638 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -117.0 -174.1 2.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.937 -1.505 . . . . 25.0 106.937 177.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -53.11 -47.71 68.42 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.472 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.7 tt0 -54.21 -46.11 72.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.36 0.527 . . . . 25.0 110.77 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -77.67 -35.32 52.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.906 0.86 . . . . 25.0 110.746 -173.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.513 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -60.59 -39.63 88.79 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.798 -0.816 . . . . 25.0 108.798 177.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 71.7 t -71.49 -36.17 59.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.686 -0.234 . . . . 25.0 110.522 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 72' ' ' GLN . 57.8 t -57.44 -45.38 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 109.13 -0.692 . . . . 25.0 109.13 177.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.0 mt -69.79 -38.51 76.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.86 0.362 . . . . 25.0 111.638 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.9 t -63.48 -43.84 98.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 177.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.94 77.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.774 -0.579 . . . . 25.0 111.056 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.15 90.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.281 0.562 . . . . 25.0 110.115 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.16 -34.42 68.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.344 0.592 . . . . 25.0 110.169 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.8 m -64.42 -41.0 96.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.462 -0.336 . . . . 25.0 111.5 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.574 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.9 m -69.12 -23.96 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.04 -1.038 . . . . 25.0 112.425 178.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.892 0 CA-C-O 121.621 0.724 . . . . 25.0 111.119 171.603 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--O 1.235 0.306 0 N-CA-C 107.014 -1.476 . . . . 25.0 107.014 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -60.39 -30.23 69.45 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 110.289 -0.263 . . . . 25.0 110.289 173.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.505 HD22 HD13 ' A' ' 41' ' ' LEU . 3.3 tt -66.68 -41.92 87.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.394 0.616 . . . . 25.0 109.77 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -66.23 -39.22 89.4 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.709 -0.396 . . . . 25.0 111.294 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.1 p -76.14 -29.1 57.68 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 110.125 -0.324 . . . . 25.0 110.125 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.96 90.21 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 173.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.4 mmm -70.51 -32.42 69.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.34 0.496 . . . . 25.0 112.34 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -29.89 69.02 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.697 -0.483 . . . . 25.0 109.697 178.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -62.93 -43.46 98.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.573 -0.528 . . . . 25.0 109.573 174.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.7 -38.7 88.82 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -64.19 -48.34 86.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 C-N-CA 120.313 -0.555 . . . . 25.0 109.826 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -57.89 -41.76 83.24 Favored 'General case' 0 CA--C 1.448 -2.956 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.44 HG11 HD12 ' A' ' 4' ' ' LEU . 58.5 t -68.31 -43.76 84.21 Favored 'Isoleucine or valine' 0 C--N 1.389 2.304 0 O-C-N 120.885 -1.135 . . . . 25.0 110.461 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -62.46 -43.05 99.76 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 122.04 0.924 . . . . 25.0 109.915 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -64.54 -22.67 67.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.11 -0.95 . . . . 25.0 112.436 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.56 -40.45 95.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.645 -0.422 . . . . 25.0 111.989 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -90.29 -23.48 21.17 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.159 -0.311 . . . . 25.0 110.159 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.6 m -56.8 137.25 55.02 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.106 -0.702 . . . . 25.0 109.106 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.194 0 C-N-CA 120.469 -0.872 . . . . 25.0 113.98 -176.287 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm . . . . . 0 CA--C 1.505 -0.758 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.15 139.92 24.98 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.901 -0.778 . . . . 25.0 108.901 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.445 ' HB2' ' HD3' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -67.37 157.05 34.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.04 0.448 . . . . 25.0 111.895 178.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -66.34 -41.27 89.82 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.445 ' HD3' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -66.75 -29.5 69.49 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.224 0.92 . . . . 25.0 109.389 -176.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.98 -32.21 65.04 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.506 -1.225 . . . . 25.0 110.479 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 14.1 tp -64.66 -29.07 70.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 25.0 110.766 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.563 ' HB2' HD11 ' B' ' 61' ' ' LEU . 32.7 ttpt -64.22 -36.31 83.65 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.013 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.66 -45.38 83.17 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.42 -46.85 87.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.303 0.573 . . . . 25.0 110.212 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mp -65.53 -29.3 69.92 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 121.184 0.516 . . . . 25.0 111.359 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -81.8 -22.29 37.2 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 121.908 -0.495 . . . . 25.0 110.476 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 57.9 m -88.46 -50.54 6.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.712 -0.676 . . . . 25.0 111.472 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -93.66 -44.88 7.96 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.421 HD13 HD22 ' A' ' 4' ' ' LEU . 9.6 tp -84.83 9.08 15.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.561 0.696 . . . . 25.0 110.173 -177.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -36.56 15.21 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 115.342 1.608 . . . . 25.0 115.342 175.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.34 -35.41 60.14 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 120.424 -0.893 . . . . 25.0 111.476 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -72.65 -29.17 63.22 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.83 -0.806 . . . . 25.0 108.862 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mt -69.78 -39.06 76.87 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 110.013 -0.366 . . . . 25.0 110.013 176.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.05 -33.08 73.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.644 0.735 . . . . 25.0 110.939 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.84 26.18 5.35 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.808 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -63.45 157.73 22.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.354 -0.384 . . . . 25.0 110.657 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -134.32 -54.48 0.85 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.607 -0.27 . . . . 25.0 110.511 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -78.96 86.91 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -63.53 -28.83 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 25.0 111.029 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.95 -41.03 78.59 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 121.094 0.473 . . . . 25.0 109.791 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.48 -36.45 33.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.754 -175.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 p -66.88 -40.6 86.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -80.29 -29.29 38.21 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -56.38 -46.65 79.98 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-O 118.848 -0.596 . . . . 25.0 109.835 174.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.86 -40.76 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 119.087 0.858 . . . . 25.0 108.952 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.1 mmt -69.19 -48.65 61.54 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 115.726 -0.67 . . . . 25.0 112.483 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -37.14 84.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.507 0.194 . . . . 25.0 110.509 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.25 -41.92 97.73 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.5 OUTLIER -81.42 -24.45 36.89 Favored 'General case' 0 C--O 1.204 -1.331 0 C-N-CA 118.794 -1.162 . . . . 25.0 111.895 179.6 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.93 -29.86 65.48 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -102.48 -20.26 14.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.659 0.742 . . . . 25.0 110.799 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -96.83 12.81 30.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.44 -0.8 . . . . 25.0 108.933 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.11 -21.52 66.03 Favored Glycine 0 C--O 1.222 -0.615 0 N-CA-C 115.46 0.944 . . . . 25.0 115.46 -169.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.91 4.23 50.62 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.839 0.828 . . . . 25.0 110.207 -174.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.09 -154.93 30.41 Favored Glycine 0 N--CA 1.421 -2.322 0 N-CA-C 104.48 -3.448 . . . . 25.0 104.48 172.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -150.25 171.01 17.64 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 121.983 -0.716 . . . . 25.0 110.344 -174.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.99 168.59 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.559 -1.2 . . . . 25.0 108.569 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -125.37 -174.04 2.97 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 104.864 -2.272 . . . . 25.0 104.864 173.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -54.13 -49.03 70.12 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.606 0.965 . . . . 25.0 113.606 177.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.574 ' HB2' HG11 ' A' ' 83' ' ' VAL . 63.5 tt0 -55.27 -44.15 75.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.138 0.426 . . . . 25.0 111.026 -177.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.51 -49.02 67.93 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 122.341 1.067 . . . . 25.0 108.649 -175.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -38.83 83.23 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.565 -1.198 . . . . 25.0 111.117 -174.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -72.36 -36.26 54.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.75 -0.38 . . . . 25.0 110.857 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.45 HG22 HG22 ' A' ' 76' ' ' VAL . 53.8 t -61.8 -43.12 96.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 177.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.7 mt -68.53 -37.96 80.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.085 0.469 . . . . 25.0 110.686 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 10.3 t -62.55 -45.07 99.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.484 -0.561 . . . . 25.0 109.484 176.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.94 84.82 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.062 -0.399 . . . . 25.0 110.812 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.34 96.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.065 0.459 . . . . 25.0 110.409 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.44 -37.28 82.75 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 89.9 m -60.13 -46.8 88.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.196 -0.456 . . . . 25.0 110.981 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.451 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.8 m -71.55 -28.64 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 119.195 0.907 . . . . 25.0 111.965 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.67 0 CA-C-O 121.326 0.584 . . . . 25.0 110.845 175.591 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.553 0 CA-C-O 119.44 -0.645 . . . . 25.0 111.73 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.9 p -69.63 176.7 3.37 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 107.487 -1.301 . . . . 25.0 107.487 171.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.82 -39.91 93.43 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.472 0.578 . . . . 25.0 110.111 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.448 HD22 HD13 ' B' ' 41' ' ' LEU . 6.2 tt -64.6 -43.84 92.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.802 0.811 . . . . 25.0 109.989 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.12 -33.36 73.34 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 121.536 -0.728 . . . . 25.0 112.053 -177.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 p -71.59 -28.33 63.74 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 118.445 0.566 . . . . 25.0 109.563 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.25 90.35 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.3 mmm -71.05 -32.33 69.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -71.53 -24.77 62.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.065 -0.717 . . . . 25.0 109.065 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.8 m -66.74 -42.25 86.52 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.112 -0.368 . . . . 25.0 110.243 170.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -33.1 72.06 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.2 mt -67.58 -46.63 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -57.87 -47.25 83.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.184 0.516 . . . . 25.0 110.291 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.436 HG11 HD12 ' B' ' 4' ' ' LEU . 89.0 t -64.66 -42.16 94.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.592 -0.731 . . . . 25.0 111.864 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.98 -43.82 98.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.484 -0.76 . . . . 25.0 109.635 176.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -71.32 -14.19 62.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.559 0.948 . . . . 25.0 113.559 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.15 67.67 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.129 -0.323 . . . . 25.0 110.129 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -109.7 -16.78 13.84 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.443 0.534 . . . . 25.0 112.443 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.1 p -64.23 162.15 15.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.556 0.693 . . . . 25.0 111.056 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.08 -2.08 74.9 Favored Glycine 0 C--O 1.227 -0.299 0 C-N-CA 119.838 -1.172 . . . . 25.0 114.429 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -55.8 -42.09 75.12 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 121.894 0.854 . . . . 25.0 109.149 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -77.39 -28.46 52.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.287 -1.324 . . . . 25.0 113.344 -175.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.67 -30.08 4.3 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.63 -0.714 . . . . 25.0 113.237 -174.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -90.18 129.98 36.38 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -84.31 -14.82 48.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.624 0.601 . . . . 25.0 112.624 -170.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -106.75 11.62 30.02 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.163 -0.68 . . . . 25.0 109.163 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -132.85 158.96 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.479 -0.782 . . . . 25.0 109.395 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -143.24 134.1 25.39 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.16 147.75 52.91 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.757 -0.46 . . . . 25.0 109.757 178.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.57 -42.16 96.07 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -30.85 71.72 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.348 0.976 . . . . 25.0 110.051 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -77.09 -25.49 52.33 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.589 -0.732 . . . . 25.0 109.815 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 69' ' ' VAL . 15.4 tp -67.57 -36.45 80.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.788 -0.57 . . . . 25.0 110.565 175.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HB2' HD11 ' A' ' 61' ' ' LEU . 31.7 ttpt -58.82 -33.73 70.72 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.694 -0.402 . . . . 25.0 110.529 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -63.47 -48.31 78.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.679 -0.489 . . . . 25.0 109.679 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 tt -59.06 -46.71 87.57 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.71 -32.31 73.4 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.544 -0.753 . . . . 25.0 111.829 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.48 -22.52 38.0 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 122.024 -0.422 . . . . 25.0 111.326 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.5 m -92.25 -56.25 3.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.89 -0.596 . . . . 25.0 112.054 -176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -87.93 -38.36 15.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.447 HD13 HD22 ' B' ' 4' ' ' LEU . 9.9 tp -90.68 8.14 35.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.351 0.596 . . . . 25.0 110.195 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.19 -37.5 15.94 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 115.748 1.759 . . . . 25.0 115.748 176.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.12 64.67 Favored Glycine 0 C--O 1.225 -0.452 0 C-N-CA 120.543 -0.837 . . . . 25.0 111.219 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -74.48 -27.31 60.51 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.739 -0.859 . . . . 25.0 109.152 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.24 -40.29 74.55 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.35 -29.18 69.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.661 0.743 . . . . 25.0 110.651 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.34 17.55 19.85 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.797 -0.638 . . . . 25.0 111.259 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.31 148.36 37.14 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.575 0.703 . . . . 25.0 110.524 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -122.78 -46.19 2.13 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.335 -0.987 . . . . 25.0 108.335 176.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -86.33 85.98 7.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.569 -0.742 . . . . 25.0 109.359 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.68 -22.94 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.052 -0.976 . . . . 25.0 110.809 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -72.91 -51.05 20.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.213 0.53 . . . . 25.0 109.679 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.43 74.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -174.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.69 -40.91 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.36 -29.54 37.92 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.065 0.46 . . . . 25.0 110.726 -176.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -33.11 67.6 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.211 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.7 t -83.29 -42.98 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.7 mmt -66.47 -53.69 32.5 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 -175.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -35.31 80.01 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.715 -0.394 . . . . 25.0 110.562 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -62.35 -43.13 99.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.476 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.579 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -77.94 -23.86 48.4 Favored 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 119.168 -1.013 . . . . 25.0 110.189 -179.154 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.52 -25.13 67.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.843 0.354 . . . . 25.0 111.9 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -100.2 -25.95 14.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.617 0.722 . . . . 25.0 110.289 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -97.15 17.13 17.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.607 -0.724 . . . . 25.0 110.321 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.0 -20.72 67.12 Favored Glycine 0 C--O 1.219 -0.824 0 N-CA-C 115.3 0.88 . . . . 25.0 115.3 -169.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -89.03 6.02 41.65 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 122.063 0.935 . . . . 25.0 110.455 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.19 -155.32 30.96 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 104.857 -3.297 . . . . 25.0 104.857 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -153.44 168.98 24.3 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.949 -0.736 . . . . 25.0 109.892 -175.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.407 HG21 HD22 ' A' ' 33' ' ' LEU . 2.8 m -140.6 168.82 16.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.073 -0.967 . . . . 25.0 108.995 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -121.24 -174.34 2.82 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.095 -1.816 . . . . 25.0 106.095 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -53.97 -47.98 70.79 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 113.342 0.867 . . . . 25.0 113.342 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.516 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.6 tt0 -55.42 -45.39 76.75 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.935 -0.478 . . . . 25.0 110.831 -177.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -45.17 69.9 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.25 1.024 . . . . 25.0 109.101 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.8 -40.32 79.63 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.606 -1.179 . . . . 25.0 110.265 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.12 -36.85 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 122.26 -0.275 . . . . 25.0 111.011 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 72' ' ' GLN . 59.4 t -58.29 -45.84 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 177.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.3 mt -70.0 -37.94 75.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.963 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.1 t -62.09 -44.94 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.49 -36.96 85.43 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.103 -0.373 . . . . 25.0 110.861 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.45 95.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.162 0.506 . . . . 25.0 110.467 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.92 -36.21 79.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.315 0.578 . . . . 25.0 109.743 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.4 m -61.08 -44.92 96.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.169 -0.468 . . . . 25.0 111.083 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.453 HG11 ' HB2' ' B' ' 72' ' ' GLN . 29.4 m -71.78 -28.44 30.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 120.879 -1.138 . . . . 25.0 111.914 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.34 -20.53 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.252 0.548 . . . . 25.0 110.862 175.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -102.36 -15.35 16.57 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.811 -1.181 . . . . 25.0 112.293 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -52.26 -20.91 2.96 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.863 1.06 . . . . 25.0 113.863 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -48.75 -15.81 0.1 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.165 0.986 . . . . 25.0 113.634 169.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -51.63 -33.95 35.62 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.776 -0.577 . . . . 25.0 112.182 173.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -94.53 12.43 27.44 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -116.01 103.36 10.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.154 0.978 . . . . 25.0 109.404 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.01 85.29 7.37 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.053 -0.976 . . . . 25.0 110.161 -176.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.4 p . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.255 -1.355 . . . . 25.0 110.287 176.183 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.459 0 CA-C-O 119.567 -0.574 . . . . 25.0 111.872 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -69.42 -177.77 1.24 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 173.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -63.24 -42.77 99.24 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.885 -0.509 . . . . 25.0 109.792 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.447 HD22 HD13 ' A' ' 41' ' ' LEU . 3.6 tt -65.64 -43.54 89.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.762 0.791 . . . . 25.0 109.941 177.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.49 -32.92 73.24 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.346 -0.846 . . . . 25.0 112.073 -175.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.9 p -73.4 -30.11 63.04 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.82 84.56 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 173.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.3 mmm -70.6 -32.35 69.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.534 0.938 . . . . 25.0 113.534 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.99 -25.69 62.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.67 -0.644 . . . . 25.0 109.326 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -65.03 -42.13 94.62 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 122.143 -0.348 . . . . 25.0 110.105 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.52 -32.89 73.9 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.452 -0.573 . . . . 25.0 109.452 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -68.35 -47.41 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.86 -49.64 76.98 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.25 0.548 . . . . 25.0 110.837 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 p -72.76 -29.81 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 115.843 -0.617 . . . . 25.0 112.517 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.34 -45.13 95.68 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.885 -1.135 . . . . 25.0 108.978 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -66.54 -19.82 65.87 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.472 -0.786 . . . . 25.0 112.119 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.84 -28.22 69.4 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.749 -0.594 . . . . 25.0 112.293 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -116.99 0.25 12.36 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.68 0.252 . . . . 25.0 111.68 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.437 ' HA ' HD13 ' B' ' 28' ' ' LEU . 59.6 p -75.19 170.98 14.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.024 0.75 . . . . 25.0 113.024 -174.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.18 19.42 59.04 Favored Glycine 0 CA--C 1.508 -0.35 0 N-CA-C 116.745 1.458 . . . . 25.0 116.745 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -67.8 -36.0 79.64 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.991 1.395 . . . . 25.0 108.367 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -82.94 -3.74 57.41 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.912 -1.04 . . . . 25.0 112.252 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.86 -30.28 9.64 Favored Glycine 0 N--CA 1.462 0.412 0 CA-C-N 115.28 -0.873 . . . . 25.0 114.352 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -85.1 125.6 32.92 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 106.764 -1.569 . . . . 25.0 106.764 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -92.7 -8.25 44.46 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -170.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -96.97 8.13 45.13 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.897 -1.52 . . . . 25.0 106.897 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -130.36 160.83 32.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.409 -0.814 . . . . 25.0 109.648 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' B' ' 19' ' ' SER . 11.7 tp -151.58 138.93 19.4 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 106.453 -1.684 . . . . 25.0 106.453 176.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.15 148.03 51.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.999 0.818 . . . . 25.0 109.676 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -59.41 -43.56 92.99 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.539 1.311 . . . . 25.0 114.539 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -30.11 70.98 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.25 0.932 . . . . 25.0 110.263 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -77.92 -24.4 48.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.367 -0.833 . . . . 25.0 109.529 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.496 HD22 HG21 ' B' ' 69' ' ' VAL . 24.8 tp -69.2 -36.11 76.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.91 0.386 . . . . 25.0 110.416 177.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.484 ' HB2' HD11 ' B' ' 61' ' ' LEU . 30.4 ttpt -57.0 -34.31 68.01 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.458 -0.337 . . . . 25.0 110.945 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.56 -48.81 79.28 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.33 -45.6 90.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.658 0.742 . . . . 25.0 109.161 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.93 -30.12 70.65 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.762 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -81.85 -22.46 36.96 Favored 'General case' 0 C--N 1.316 -0.889 0 O-C-N 121.499 -0.751 . . . . 25.0 110.566 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.4 m -88.85 -56.4 3.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.772 -0.649 . . . . 25.0 111.184 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -92.53 -31.83 15.07 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.844 1.053 . . . . 25.0 113.844 -174.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.448 HD13 HD22 ' A' ' 4' ' ' LEU . 11.7 tp -95.13 9.57 39.11 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.998 -0.742 . . . . 25.0 108.998 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.3 t -48.36 -37.15 16.02 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.526 1.676 . . . . 25.0 115.526 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.61 -34.24 57.1 Favored Glycine 0 C--O 1.225 -0.438 0 C-N-CA 120.482 -0.866 . . . . 25.0 111.222 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -73.45 -29.45 62.55 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.78 -39.09 80.36 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.93 -30.06 69.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.463 0.649 . . . . 25.0 111.689 177.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.3 18.88 14.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.099 -0.501 . . . . 25.0 111.34 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -61.32 149.25 38.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.532 0.682 . . . . 25.0 110.959 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -127.35 -46.7 1.47 Allowed 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -83.76 85.85 7.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 176.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.49 -27.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.544 -0.753 . . . . 25.0 110.445 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.17 -40.14 74.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.311 0.577 . . . . 25.0 109.465 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.93 -36.83 41.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 25.0 112.217 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.4 p -64.98 -40.13 88.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -80.3 -27.74 38.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.94 -0.573 . . . . 25.0 111.231 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.67 -32.69 65.66 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.764 -0.458 . . . . 25.0 109.764 176.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.6 -45.7 18.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.539 -0.464 . . . . 25.0 110.391 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.6 mmt -67.54 -49.95 60.92 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -174.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -36.31 83.61 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.785 -0.366 . . . . 25.0 110.026 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.74 -43.03 94.66 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.972 -0.291 . . . . 25.0 110.832 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -76.31 -24.32 54.35 Favored 'General case' 0 C--O 1.201 -1.463 0 C-N-CA 119.343 -0.943 . . . . 25.0 109.157 -176.215 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.3 -22.4 66.94 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.863 -0.523 . . . . 25.0 112.225 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -103.55 -23.41 13.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.352 0.596 . . . . 25.0 110.91 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -97.68 13.38 30.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.622 0.725 . . . . 25.0 110.378 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.7 -17.34 69.0 Favored Glycine 0 C--O 1.219 -0.793 0 N-CA-C 116.491 1.357 . . . . 25.0 116.491 -167.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -89.71 3.0 54.11 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.593 0.711 . . . . 25.0 110.461 -172.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.43 -155.93 30.25 Favored Glycine 0 N--CA 1.419 -2.444 0 N-CA-C 104.989 -3.245 . . . . 25.0 104.989 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.63 166.44 31.22 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 122.237 -0.566 . . . . 25.0 110.131 -173.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.496 HG21 HD22 ' B' ' 33' ' ' LEU . 3.5 m -136.07 171.22 17.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.139 -0.937 . . . . 25.0 108.841 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -126.38 -174.0 3.01 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 105.162 -2.162 . . . . 25.0 105.162 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -53.16 -47.95 68.36 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.453 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.6 tt0 -55.17 -45.74 75.77 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.174 0.443 . . . . 25.0 111.272 -177.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -47.32 65.3 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 122.319 1.056 . . . . 25.0 108.589 -175.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -40.11 81.83 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.661 -1.154 . . . . 25.0 110.857 -176.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.37 -36.93 63.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 O-C-N 122.306 -0.246 . . . . 25.0 111.066 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.417 HG22 HG22 ' A' ' 76' ' ' VAL . 51.8 t -60.62 -43.58 95.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.609 -0.515 . . . . 25.0 109.609 177.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.5 mt -69.36 -37.56 77.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.99 0.424 . . . . 25.0 110.803 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.4 -43.86 98.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.07 81.8 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.072 -0.393 . . . . 25.0 111.308 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.9 97.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.13 0.49 . . . . 25.0 110.213 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -35.97 77.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.244 0.545 . . . . 25.0 109.665 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 82.2 m -59.71 -44.97 93.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.275 -0.421 . . . . 25.0 111.003 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.458 HG11 ' HB2' ' A' ' 72' ' ' GLN . 29.3 m -72.44 -30.31 34.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 120.89 -1.131 . . . . 25.0 111.958 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 -24.06 67.36 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.219 0.533 . . . . 25.0 111.328 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -101.6 -14.48 17.42 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.495 -1.378 . . . . 25.0 111.615 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -42.72 -20.38 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 118.374 2.731 . . . . 25.0 118.374 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -40.71 -19.31 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 114.461 1.282 . . . . 25.0 114.461 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -56.89 -25.72 57.52 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.223 0.92 . . . . 25.0 113.319 173.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -110.87 17.15 20.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.017 0.437 . . . . 25.0 110.898 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -115.53 110.25 18.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.901 0.858 . . . . 25.0 109.751 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.37 84.39 7.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.534 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.327 -0.844 . . . . 25.0 109.793 176.192 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.884 0 N-CA-C 111.318 -0.713 . . . . 25.0 111.318 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -72.05 173.14 8.85 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 106.889 -1.523 . . . . 25.0 106.889 170.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.13 -35.83 81.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.23 0.538 . . . . 25.0 110.108 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.488 HD12 HG11 ' B' ' 14' ' ' VAL . 2.8 tt -64.73 -43.02 94.74 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 121.876 0.846 . . . . 25.0 109.604 177.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.86 -33.95 75.75 Favored 'General case' 0 C--N 1.314 -0.939 0 O-C-N 121.339 -0.85 . . . . 25.0 111.561 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 p -73.41 -27.15 61.29 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.377 -0.529 . . . . 25.0 110.041 174.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.31 94.58 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 175.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.9 mmm -70.76 -33.94 71.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.126 0.787 . . . . 25.0 113.126 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.78 -27.92 66.32 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.4 m -64.89 -42.71 94.57 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.182 -0.324 . . . . 25.0 110.454 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.58 -34.83 74.76 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -67.03 -46.54 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.564 -0.532 . . . . 25.0 109.564 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.42 -47.34 84.24 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.549 0.69 . . . . 25.0 110.82 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.45 HG11 HD12 ' B' ' 4' ' ' LEU . 78.5 t -63.69 -43.85 98.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.279 -0.873 . . . . 25.0 111.489 -178.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -60.8 -44.47 96.82 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.643 -0.661 . . . . 25.0 109.423 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -66.22 -18.47 65.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.583 -0.735 . . . . 25.0 112.909 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.46 -42.65 74.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.696 -0.628 . . . . 25.0 111.102 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -95.96 -15.84 22.08 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.725 0.639 . . . . 25.0 112.725 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.7 p -63.37 166.7 6.12 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -175.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.04 20.95 54.31 Favored Glycine 0 C--O 1.224 -0.521 0 C-N-CA 120.396 -0.907 . . . . 25.0 114.809 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -69.35 -32.78 72.07 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 106.63 -1.618 . . . . 25.0 106.63 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -89.15 -1.23 58.0 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.465 -1.243 . . . . 25.0 111.91 176.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.81 -30.94 9.25 Favored Glycine 0 C--O 1.225 -0.453 0 N-CA-C 115.329 0.892 . . . . 25.0 115.329 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -85.8 122.45 29.89 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.907 -0.775 . . . . 25.0 108.907 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -79.37 -8.21 58.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.767 1.025 . . . . 25.0 113.767 -173.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.66 10.91 36.61 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -131.31 155.27 47.49 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.75 -0.659 . . . . 25.0 110.224 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 tp -145.31 134.07 22.29 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 1.9 m -66.73 146.55 54.34 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 118.725 0.693 . . . . 25.0 109.658 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -56.09 -51.95 66.03 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -174.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -31.37 66.09 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 176.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -79.0 -23.38 44.42 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.226 0.536 . . . . 25.0 110.601 -178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.447 HD22 HG21 ' A' ' 69' ' ' VAL . 24.6 tp -65.88 -31.06 71.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.56 0.695 . . . . 25.0 109.985 176.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HB2' HD11 ' A' ' 61' ' ' LEU . 34.0 ttpt -60.79 -31.52 70.88 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.806 -0.633 . . . . 25.0 110.394 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.87 -47.11 84.74 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.41 -45.75 93.0 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.04 -27.79 69.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.602 0.715 . . . . 25.0 111.223 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -81.86 -22.51 36.9 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 123.214 0.605 . . . . 25.0 111.487 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 m -100.31 -60.66 1.49 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -88.13 -18.18 29.37 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.9 tp -111.95 9.82 20.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.741 -0.663 . . . . 25.0 109.337 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.24 -38.02 38.51 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 115.178 1.547 . . . . 25.0 115.178 177.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.18 -29.27 72.16 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 120.882 -0.675 . . . . 25.0 112.083 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -79.78 -28.35 40.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.684 -0.892 . . . . 25.0 108.914 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.15 -39.81 82.54 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.07 -31.65 69.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.538 0.685 . . . . 25.0 111.519 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.15 18.76 7.67 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 116.355 -0.384 . . . . 25.0 110.312 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -61.53 156.22 20.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.031 0.443 . . . . 25.0 110.076 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -138.26 -45.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -80.89 88.84 5.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.126 -0.943 . . . . 25.0 108.558 175.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -67.25 -25.41 33.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.466 -176.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.55 -43.77 46.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.292 -0.633 . . . . 25.0 109.292 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.66 -38.21 62.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.37 -39.7 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -80.36 -28.95 37.91 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 116.093 -0.503 . . . . 25.0 111.352 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -36.25 69.46 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.92 -43.92 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.636 0.731 . . . . 25.0 109.455 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.9 mmt -67.99 -51.39 47.86 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.749 -0.66 . . . . 25.0 112.267 -175.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -37.53 87.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.127 -0.323 . . . . 25.0 110.127 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -60.78 -42.91 98.45 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.761 -0.376 . . . . 25.0 110.491 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -78.85 -24.01 44.62 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 118.749 -1.18 . . . . 25.0 110.457 -178.53 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.9 -25.27 65.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.937 0.399 . . . . 25.0 110.877 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -93.58 -26.95 16.89 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.789 0.804 . . . . 25.0 109.014 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -95.39 17.85 13.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.17 -0.923 . . . . 25.0 109.049 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.63 29.1 1.77 Allowed Glycine 0 C--O 1.214 -1.108 0 CA-C-N 115.782 -0.644 . . . . 25.0 114.432 -173.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -116.01 -16.24 11.09 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 112.746 0.647 . . . . 25.0 112.746 168.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.79 -150.45 21.79 Favored Glycine 0 N--CA 1.441 -0.97 0 N-CA-C 110.566 -1.014 . . . . 25.0 110.566 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.441 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -149.31 168.21 23.95 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.926 -0.637 . . . . 25.0 110.836 -171.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.447 HG21 HD22 ' A' ' 33' ' ' LEU . 3.4 m -136.85 171.09 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.437 -0.802 . . . . 25.0 109.147 177.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -126.62 -174.14 3.05 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 105.248 -2.13 . . . . 25.0 105.248 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -53.29 -48.62 68.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.696 0.999 . . . . 25.0 113.696 176.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.2 tt0 -56.37 -45.3 80.56 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.582 0.628 . . . . 25.0 110.997 -177.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.25 -45.13 74.02 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 122.351 1.072 . . . . 25.0 108.845 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -39.67 84.76 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.803 -1.09 . . . . 25.0 110.61 -177.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.2 t -71.51 -36.18 59.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 122.231 -0.293 . . . . 25.0 110.654 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 72' ' ' GLN . 72.5 t -58.4 -46.14 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.391 0.615 . . . . 25.0 109.507 176.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.32 -35.91 71.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.036 -0.529 . . . . 25.0 111.138 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 t -63.67 -43.74 98.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.454 -0.572 . . . . 25.0 109.454 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.22 -37.63 87.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.174 -0.329 . . . . 25.0 110.139 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.69 98.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 25.0 110.76 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.97 -35.13 74.21 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.366 0.603 . . . . 25.0 110.065 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -61.69 -45.7 92.88 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 122.117 -0.364 . . . . 25.0 111.211 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.9 m -68.55 -22.47 27.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.946 0 N-CA-C 113.223 0.823 . . . . 25.0 113.223 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.23 -4.79 0.89 Allowed 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 119.382 0.992 . . . . 25.0 112.716 174.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -53.05 -21.13 4.21 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 118.077 2.621 . . . . 25.0 118.077 -172.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -60.45 -26.6 66.87 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 118.885 0.766 . . . . 25.0 111.311 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -60.65 -19.76 59.04 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 113.636 0.976 . . . . 25.0 113.636 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.58 -28.09 67.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.441 0.638 . . . . 25.0 109.845 175.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -110.66 -3.43 15.86 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -104.03 102.98 12.74 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 106.811 -1.552 . . . . 25.0 106.811 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -95.27 77.97 3.45 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.231 -1.35 . . . . 25.0 110.722 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.246 0.897 0 CA-C-O 117.18 -1.391 . . . . 25.0 109.608 -178.597 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.426 0 CA-C-O 119.328 -0.707 . . . . 25.0 111.606 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -65.67 169.81 5.88 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 173.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.6 -40.65 88.21 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.207 0.527 . . . . 25.0 111.63 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.45 HD12 HG11 ' A' ' 14' ' ' VAL . 2.2 tt -65.81 -41.69 91.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.898 0.856 . . . . 25.0 109.965 177.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -65.3 -36.33 83.75 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.623 -0.673 . . . . 25.0 110.924 -176.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.6 p -72.59 -28.7 62.95 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.405 -0.518 . . . . 25.0 110.694 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.69 -44.97 92.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.893 -1.151 . . . . 25.0 107.893 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -71.6 -32.84 68.47 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -68.39 -28.52 67.18 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.39 -0.819 . . . . 25.0 108.91 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.1 m -63.59 -44.43 94.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.777 0.322 . . . . 25.0 110.39 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.85 -35.79 77.47 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.6 -46.91 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 109.454 -0.573 . . . . 25.0 109.454 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -58.93 -44.69 91.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 25.0 111.417 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.488 HG11 HD12 ' A' ' 4' ' ' LEU . 80.7 t -66.84 -43.4 89.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.726 -0.67 . . . . 25.0 110.981 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.88 -44.83 96.55 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -66.46 -18.91 65.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.19 -47.28 74.44 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 122.025 -0.422 . . . . 25.0 110.95 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -92.91 -16.86 24.7 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 90.1 p -62.0 165.6 5.39 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.15 17.16 61.48 Favored Glycine 0 CA--C 1.509 -0.327 0 C-N-CA 120.452 -0.88 . . . . 25.0 114.425 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -67.88 -32.21 72.55 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 107.778 -1.193 . . . . 25.0 107.778 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -91.81 -0.41 57.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.997 -1.456 . . . . 25.0 112.004 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.73 -29.76 11.01 Favored Glycine 0 N--CA 1.461 0.345 0 CA-C-N 115.666 -0.697 . . . . 25.0 114.289 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -86.34 120.36 27.61 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -82.85 -11.06 58.53 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 113.666 0.987 . . . . 25.0 113.666 -171.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -93.32 4.53 53.83 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.354 -0.98 . . . . 25.0 108.354 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -129.88 154.31 47.43 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.0 -0.545 . . . . 25.0 111.01 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -141.12 131.56 25.27 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 106.01 -1.848 . . . . 25.0 106.01 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 5.0 m -65.51 145.25 56.34 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.244 -0.582 . . . . 25.0 110.22 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -54.69 -51.12 66.54 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.025 0.75 . . . . 25.0 113.025 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.44 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -58.96 -31.28 68.59 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 176.73 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -78.38 -23.53 46.77 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 121.398 0.618 . . . . 25.0 110.196 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.22 -31.73 73.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.862 -0.524 . . . . 25.0 110.134 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.566 ' HB2' HD11 ' B' ' 61' ' ' LEU . 34.6 ttpt -60.58 -33.06 72.16 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.48 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.5 -47.86 74.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.031 -0.729 . . . . 25.0 109.031 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.1 -46.21 90.35 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.1 mt -62.7 -30.24 71.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.024 -0.535 . . . . 25.0 111.624 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -81.91 -22.37 36.83 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 122.807 0.443 . . . . 25.0 111.488 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 36.7 m -94.53 -52.28 4.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.771 -0.649 . . . . 25.0 112.3 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -94.39 -25.85 16.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -174.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 tp -104.72 12.03 33.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -40.54 30.85 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.59 1.7 . . . . 25.0 115.59 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.63 -34.57 62.95 Favored Glycine 0 C--O 1.229 -0.181 0 C-N-CA 120.426 -0.892 . . . . 25.0 110.896 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -70.82 -31.07 67.68 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.716 -0.873 . . . . 25.0 109.387 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 mt -68.72 -39.77 80.25 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 110.032 -0.358 . . . . 25.0 110.032 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.33 -36.04 81.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.651 0.738 . . . . 25.0 111.287 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.19 28.64 3.52 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.302 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -64.67 159.55 21.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.755 -0.461 . . . . 25.0 109.755 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -132.6 -47.94 0.89 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.543 -0.54 . . . . 25.0 109.543 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -84.84 92.26 8.21 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.524 -0.547 . . . . 25.0 109.524 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -67.1 -22.16 28.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.493 -0.776 . . . . 25.0 112.363 -176.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -79.07 -50.0 11.76 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.725 . . . . 25.0 109.044 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.19 85.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.682 -0.235 . . . . 25.0 111.502 -175.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -63.74 -41.76 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.64 -31.31 36.53 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 120.956 0.407 . . . . 25.0 111.131 -174.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -57.9 -42.1 84.0 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 116.372 -0.377 . . . . 25.0 110.351 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 82.9 t -66.41 -40.95 87.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.762 -0.829 . . . . 25.0 108.762 -177.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.0 mmt -67.9 -49.04 64.24 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 115.817 -0.628 . . . . 25.0 112.187 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -37.97 87.94 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 121.087 -0.245 . . . . 25.0 110.561 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -61.66 -41.15 97.14 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.149 -0.315 . . . . 25.0 110.149 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -78.73 -23.45 45.45 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 118.927 -1.109 . . . . 25.0 110.584 -179.447 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.68 -25.53 66.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.894 0.378 . . . . 25.0 110.993 -176.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -97.38 -24.64 15.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.66 0.743 . . . . 25.0 109.683 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -95.55 17.94 13.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.435 -0.802 . . . . 25.0 108.854 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.26 36.26 1.75 Allowed Glycine 0 C--O 1.22 -0.78 0 CA-C-N 115.991 -0.55 . . . . 25.0 114.116 -174.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -115.85 -29.93 6.24 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 122.647 -0.325 . . . . 25.0 111.285 175.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.53 -150.35 13.71 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-O 122.385 0.992 . . . . 25.0 112.007 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.544 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -146.67 165.09 30.61 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.177 -1.012 . . . . 25.0 110.149 -171.752 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.34 168.45 24.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.93 -174.13 2.7 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -52.76 -47.53 67.4 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.512 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.4 tt0 -55.0 -47.3 74.84 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.938 -0.476 . . . . 25.0 111.34 -177.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.07 -44.8 71.82 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.972 0.892 . . . . 25.0 109.124 -174.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -40.16 84.17 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.14 -0.936 . . . . 25.0 111.202 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.94 -36.23 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.275 -0.265 . . . . 25.0 110.673 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.457 HG22 HG22 ' A' ' 76' ' ' VAL . 53.1 t -60.81 -43.52 95.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.51 -35.93 73.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.052 0.454 . . . . 25.0 110.792 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.4 t -63.03 -43.53 99.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.279 -0.638 . . . . 25.0 109.279 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.67 83.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.065 -0.397 . . . . 25.0 110.759 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.46 97.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.126 0.488 . . . . 25.0 110.312 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.08 -34.26 72.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.378 0.609 . . . . 25.0 109.921 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 54.6 m -63.88 -43.62 95.5 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.056 -0.403 . . . . 25.0 111.056 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 72' ' ' GLN . 34.0 m -71.25 -23.54 23.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 O-C-N 121.514 -0.741 . . . . 25.0 111.844 177.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.24 0.72 1.27 Allowed 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.362 -0.836 . . . . 25.0 111.094 171.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -60.86 -15.49 31.11 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.537 2.051 . . . . 25.0 116.537 -173.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -61.34 -21.09 63.7 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 118.647 0.658 . . . . 25.0 111.468 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.06 -27.23 66.79 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -65.05 -30.44 71.4 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.707 0.765 . . . . 25.0 109.954 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -100.84 3.57 42.08 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 115.46 -0.791 . . . . 25.0 112.216 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.91 103.13 15.06 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 105.184 -2.154 . . . . 25.0 105.184 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -99.51 87.42 3.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.441 -0.799 . . . . 25.0 111.189 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.246 0.883 0 CA-C-O 116.93 -1.51 . . . . 25.0 109.599 177.741 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.547 0 CA-C-O 119.522 -0.599 . . . . 25.0 111.756 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -70.62 178.43 3.02 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.54 -44.07 96.51 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.384 0.538 . . . . 25.0 110.911 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.535 HD22 HD13 ' B' ' 41' ' ' LEU . 5.5 tt -65.0 -40.83 95.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.727 0.775 . . . . 25.0 109.853 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.58 -34.55 74.31 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.566 -0.708 . . . . 25.0 111.947 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 p -71.86 -28.46 63.56 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 118.629 0.65 . . . . 25.0 109.507 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.04 87.18 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.464 -1.31 . . . . 25.0 107.464 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.1 mmm -71.33 -32.97 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.648 0.981 . . . . 25.0 113.648 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -69.89 -26.62 64.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 m -65.04 -43.5 92.15 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.61 -0.268 . . . . 25.0 110.59 171.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.27 -35.89 74.54 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.122 -0.696 . . . . 25.0 109.122 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.4 mt -65.6 -47.1 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -58.7 -45.93 88.43 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.47 0.652 . . . . 25.0 111.113 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.417 HG11 HD12 ' B' ' 4' ' ' LEU . 72.4 t -64.49 -44.2 96.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.367 -0.833 . . . . 25.0 111.326 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.96 -42.99 99.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.444 0.64 . . . . 25.0 109.496 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -64.86 -19.43 65.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.499 -0.773 . . . . 25.0 112.624 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -49.85 68.59 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -91.88 -18.24 24.07 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.9 p -66.04 169.72 6.51 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.556 0.947 . . . . 25.0 113.556 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.57 4.16 17.76 Favored Glycine 0 C--O 1.225 -0.408 0 CA-C-O 121.777 0.654 . . . . 25.0 113.568 175.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -69.02 -33.07 73.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.307 0.575 . . . . 25.0 112.099 -174.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -75.29 -26.56 58.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.627 0.727 . . . . 25.0 111.4 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.87 -30.58 6.06 Favored Glycine 0 C--O 1.225 -0.421 0 N-CA-C 106.813 -2.515 . . . . 25.0 106.813 -173.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -86.08 136.82 33.07 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.705 -1.961 . . . . 25.0 105.705 169.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -84.38 -12.3 54.72 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-O 121.457 0.646 . . . . 25.0 111.074 -176.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -93.56 11.38 28.94 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.614 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -128.43 145.02 51.22 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.325 -0.398 . . . . 25.0 112.045 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -141.31 136.0 31.13 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.14 145.31 53.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 118.201 0.455 . . . . 25.0 110.353 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -58.09 -44.99 87.9 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.524 0.935 . . . . 25.0 113.524 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -23.01 65.97 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.404 -0.81 . . . . 25.0 110.255 -178.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -86.26 -24.64 25.9 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 121.821 0.82 . . . . 25.0 109.225 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.466 HD22 HG21 ' A' ' 69' ' ' VAL . 15.0 tp -66.24 -37.91 86.63 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.494 -0.754 . . . . 25.0 109.688 170.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.54 ' HB2' HD11 ' A' ' 61' ' ' LEU . 31.4 ttpt -56.91 -34.28 67.78 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 122.074 -0.391 . . . . 25.0 110.902 177.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -63.43 -49.0 75.45 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.588 -0.523 . . . . 25.0 109.588 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.89 -45.22 90.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.449 0.642 . . . . 25.0 109.563 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.71 -31.33 72.47 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.848 -0.615 . . . . 25.0 111.712 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -81.75 -22.39 37.28 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 122.935 0.494 . . . . 25.0 110.693 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.7 m -91.79 -50.59 5.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.782 -0.645 . . . . 25.0 112.315 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -91.18 -45.05 8.87 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.086 0.47 . . . . 25.0 112.159 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.417 HD13 HD22 ' B' ' 4' ' ' LEU . 9.7 tp -85.01 9.75 13.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.649 0.738 . . . . 25.0 109.564 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -39.52 18.66 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 115.46 1.652 . . . . 25.0 115.46 174.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.99 -35.57 64.72 Favored Glycine 0 N--CA 1.458 0.135 0 C-N-CA 120.267 -0.968 . . . . 25.0 111.061 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -69.53 -32.89 72.0 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -69.88 -40.67 75.54 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 120.551 0.215 . . . . 25.0 111.196 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.54 -35.97 82.43 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.741 0.781 . . . . 25.0 110.74 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.1 29.95 4.02 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.689 -0.687 . . . . 25.0 110.218 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -62.59 152.49 34.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -129.53 -53.33 1.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.803 0.335 . . . . 25.0 110.645 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.95 84.51 6.92 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.699 -1.223 . . . . 25.0 107.699 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.3 m -64.09 -28.71 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.685 -0.689 . . . . 25.0 112.415 -173.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.76 -38.7 83.8 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.98 -39.03 43.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.981 -0.554 . . . . 25.0 112.234 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.94 -39.62 86.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -80.37 -29.83 37.89 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.21 -0.45 . . . . 25.0 111.316 -176.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.25 -36.16 70.6 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 121.056 -0.258 . . . . 25.0 110.359 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -77.52 -42.7 30.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.434 0.635 . . . . 25.0 109.499 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.1 mmt -68.1 -51.36 47.25 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 112.721 0.637 . . . . 25.0 112.721 -175.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -35.62 80.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.745 -0.382 . . . . 25.0 110.207 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.74 -42.69 99.79 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.656 -0.418 . . . . 25.0 110.676 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.67 -23.64 45.56 Favored 'General case' 0 C--O 1.204 -1.341 0 C-N-CA 118.913 -1.115 . . . . 25.0 110.357 -179.598 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.34 -26.13 67.6 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 122.005 -0.434 . . . . 25.0 112.142 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -102.16 -23.23 14.07 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.549 0.69 . . . . 25.0 110.673 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -96.52 14.15 25.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.806 0.812 . . . . 25.0 109.224 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.71 -19.84 67.63 Favored Glycine 0 C--O 1.218 -0.878 0 N-CA-C 116.705 1.442 . . . . 25.0 116.705 -167.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -89.94 1.76 55.87 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.388 0.614 . . . . 25.0 110.552 -172.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.67 -152.83 24.22 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 104.831 -3.308 . . . . 25.0 104.831 173.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.05 170.98 19.11 Favored 'General case' 0 C--N 1.311 -1.07 0 O-C-N 121.945 -0.738 . . . . 25.0 110.647 -172.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.466 HG21 HD22 ' A' ' 33' ' ' LEU . 2.8 m -139.61 168.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.198 -0.91 . . . . 25.0 109.456 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -122.77 -174.36 2.91 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.936 -1.876 . . . . 25.0 105.936 174.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -54.75 -48.89 72.02 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.664 0.987 . . . . 25.0 113.664 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.518 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.0 tt0 -55.18 -44.03 74.88 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.352 0.524 . . . . 25.0 110.575 -177.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -47.66 67.4 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 122.245 1.021 . . . . 25.0 108.757 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -39.33 79.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.641 -1.163 . . . . 25.0 111.125 -175.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.84 -36.39 58.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 121.077 -0.249 . . . . 25.0 110.966 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.489 HG22 HG22 ' B' ' 76' ' ' VAL . 57.0 t -61.73 -43.17 96.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.551 -0.536 . . . . 25.0 109.551 177.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.1 mt -68.66 -37.31 79.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.167 0.508 . . . . 25.0 110.632 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 t -62.82 -44.71 99.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 116.133 -0.485 . . . . 25.0 109.749 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.23 82.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.027 -0.42 . . . . 25.0 111.239 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.24 97.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.341 0.591 . . . . 25.0 110.324 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -35.51 75.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.43 0.633 . . . . 25.0 110.019 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.7 m -64.08 -41.08 97.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.196 -0.456 . . . . 25.0 111.881 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.487 HG11 ' HB2' ' B' ' 72' ' ' GLN . 31.6 m -71.51 -24.22 23.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 121.09 -1.006 . . . . 25.0 112.097 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.56 -5.03 9.9 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.088 0.947 . . . . 25.0 111.464 171.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -73.23 -31.22 64.02 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 115.817 1.784 . . . . 25.0 115.817 -172.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -64.19 -30.98 72.01 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 122.319 1.057 . . . . 25.0 111.224 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -11.68 4.11 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.347 1.61 . . . . 25.0 115.347 174.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -51.79 -25.06 6.86 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -93.64 14.89 17.62 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.649 1.351 . . . . 25.0 114.649 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.9 134.18 24.48 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 122.218 1.009 . . . . 25.0 109.386 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.526 HD22 ' H ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -93.94 78.2 4.14 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.599 -1.182 . . . . 25.0 112.547 -178.366 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.3 m . . . . . 0 C--O 1.245 0.842 0 CA-C-O 116.599 -1.667 . . . . 25.0 106.723 176.887 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.639 0 CA-C-O 119.334 -0.703 . . . . 25.0 111.811 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.32 175.01 1.84 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 172.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.1 -43.68 95.37 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.551 0.614 . . . . 25.0 111.281 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.417 HD12 HG11 ' A' ' 14' ' ' VAL . 3.7 tt -65.16 -40.4 94.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.943 0.878 . . . . 25.0 109.327 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -68.05 -36.22 79.53 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 121.682 -0.636 . . . . 25.0 111.508 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.0 p -72.17 -28.76 63.43 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.432 -0.507 . . . . 25.0 109.701 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.6 -47.88 81.86 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.463 -1.31 . . . . 25.0 107.463 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.58 -32.95 70.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.907 1.077 . . . . 25.0 113.907 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.79 -27.66 66.07 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -64.91 -43.26 93.41 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.234 -0.292 . . . . 25.0 110.598 171.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.44 -37.03 82.07 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.927 -0.768 . . . . 25.0 108.927 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.03 -47.46 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.34 -51.74 68.17 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.283 0.563 . . . . 25.0 111.188 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.7 p -67.94 -37.24 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 115.664 -0.698 . . . . 25.0 112.027 -175.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.412 ' HB2' ' CE2' ' B' ' 74' ' ' TYR . 72.4 t80 -62.34 -47.19 85.33 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.099 -1.001 . . . . 25.0 110.219 173.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -60.4 -28.02 67.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.512 -0.767 . . . . 25.0 112.32 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.66 95.9 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.735 0.642 . . . . 25.0 112.735 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -93.25 -20.86 20.01 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.767 0.317 . . . . 25.0 111.292 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -65.34 158.3 26.84 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.073 0.768 . . . . 25.0 113.073 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.85 -1.68 21.4 Favored Glycine 0 C--O 1.223 -0.579 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.16 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -66.13 -27.65 68.2 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 120.96 0.409 . . . . 25.0 111.447 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.54 -29.41 52.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.718 0.77 . . . . 25.0 111.678 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.83 -30.91 6.12 Favored Glycine 0 C--O 1.227 -0.323 0 N-CA-C 108.417 -1.873 . . . . 25.0 108.417 -175.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -82.09 133.57 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 104.207 -2.516 . . . . 25.0 104.207 168.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -75.81 -23.82 55.84 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -169.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -103.78 21.45 16.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.355 0.598 . . . . 25.0 109.656 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -122.87 145.57 48.34 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.314 0.578 . . . . 25.0 110.25 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -140.85 135.64 31.57 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 108.075 -1.083 . . . . 25.0 108.075 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.96 150.21 49.01 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.174 -0.61 . . . . 25.0 109.595 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -60.81 -43.52 98.07 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.542 0.941 . . . . 25.0 113.542 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -29.13 69.95 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.512 -0.743 . . . . 25.0 110.599 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -77.08 -24.68 51.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.405 -0.816 . . . . 25.0 108.878 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 tp -71.63 -36.85 70.88 Favored 'General case' 0 CA--C 1.513 -0.461 0 O-C-N 121.879 -0.513 . . . . 25.0 110.285 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.607 ' HB2' HD11 ' B' ' 61' ' ' LEU . 30.9 ttpt -56.2 -33.68 65.55 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 120.767 -0.373 . . . . 25.0 110.902 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.66 -50.21 72.09 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.864 -0.421 . . . . 25.0 109.864 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.31 -45.02 92.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.784 0.802 . . . . 25.0 109.227 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.41 -32.04 73.37 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.339 -0.846 . . . . 25.0 111.592 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -81.68 -22.76 37.25 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 121.893 -0.504 . . . . 25.0 110.832 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.3 m -89.34 -50.44 6.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.765 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -95.43 -42.02 8.69 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 112.962 0.727 . . . . 25.0 112.962 -176.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.535 HD13 HD22 ' A' ' 4' ' ' LEU . 10.5 tp -85.65 9.17 16.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.715 0.769 . . . . 25.0 109.512 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.03 -36.35 17.78 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 115.144 1.535 . . . . 25.0 115.144 173.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.87 -39.33 75.71 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 110.875 -0.89 . . . . 25.0 110.875 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -70.45 -25.46 63.2 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.996 -0.708 . . . . 25.0 109.201 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -74.2 -39.87 62.86 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 122.149 -0.344 . . . . 25.0 110.35 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.02 -35.55 76.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.639 0.733 . . . . 25.0 110.945 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.82 28.32 3.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.806 -0.633 . . . . 25.0 110.305 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -62.94 152.24 37.14 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.372 0.606 . . . . 25.0 110.37 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -131.77 -48.58 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 25.0 109.604 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -83.53 85.91 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.448 -1.315 . . . . 25.0 107.448 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.69 -24.65 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.828 -0.623 . . . . 25.0 111.784 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.65 -52.47 21.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.439 0.638 . . . . 25.0 109.52 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.06 -37.69 78.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.821 -0.627 . . . . 25.0 111.98 -172.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.29 -41.89 89.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.46 -31.91 37.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 121.289 0.566 . . . . 25.0 110.304 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -59.6 -43.16 93.79 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 116.178 -0.465 . . . . 25.0 110.809 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.47 -39.13 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.12 -49.52 60.56 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 115.647 -0.706 . . . . 25.0 112.221 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -36.75 84.41 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 121.132 -0.227 . . . . 25.0 110.638 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.95 -41.8 98.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.808 -0.441 . . . . 25.0 109.808 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.607 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.3 OUTLIER -80.9 -23.33 39.05 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 118.792 -1.163 . . . . 25.0 111.539 179.485 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.9 -28.36 66.11 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.386 0.513 . . . . 25.0 112.386 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -104.2 -20.82 13.67 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.543 0.687 . . . . 25.0 111.169 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -96.43 13.88 26.36 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.682 -0.858 . . . . 25.0 108.682 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.86 -20.87 68.95 Favored Glycine 0 C--O 1.218 -0.897 0 N-CA-C 115.773 1.069 . . . . 25.0 115.773 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.17 2.72 51.52 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.432 0.634 . . . . 25.0 110.164 -172.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.01 -153.25 27.11 Favored Glycine 0 N--CA 1.424 -2.135 0 N-CA-C 105.067 -3.213 . . . . 25.0 105.067 172.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.73 169.59 22.96 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 121.72 -0.871 . . . . 25.0 110.815 -171.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.85 166.38 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 CA-C-N 115.224 -0.898 . . . . 25.0 109.953 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -119.97 -174.31 2.74 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 105.591 -2.004 . . . . 25.0 105.591 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -55.3 -46.9 76.24 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.514 ' O ' HG23 ' B' ' 76' ' ' VAL . 64.5 tt0 -55.73 -44.79 77.88 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.286 0.494 . . . . 25.0 110.899 -178.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -43.71 72.59 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 122.409 1.1 . . . . 25.0 109.113 -174.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.412 ' CE2' ' HB2' ' B' ' 15' ' ' PHE . 0.2 OUTLIER -59.92 -39.0 83.99 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 114.744 -1.117 . . . . 25.0 110.004 -177.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.4 t -72.04 -36.12 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 121.173 -0.211 . . . . 25.0 110.862 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 72' ' ' GLN . 73.2 t -58.06 -45.59 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 177.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.7 mt -69.33 -38.39 78.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.215 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.6 -44.75 99.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.44 82.95 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.992 -0.443 . . . . 25.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.24 97.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.39 0.614 . . . . 25.0 110.391 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.44 -34.31 74.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.387 0.613 . . . . 25.0 109.642 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.4 m -64.05 -43.07 96.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.33 -0.395 . . . . 25.0 111.342 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.6 m -72.27 -23.92 21.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 O-C-N 121.134 -0.979 . . . . 25.0 112.226 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.68 0.52 3.14 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 122.231 1.015 . . . . 25.0 111.15 171.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -16.05 58.26 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.126 -1.609 . . . . 25.0 114.87 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -62.47 -21.05 65.17 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.872 0.844 . . . . 25.0 110.491 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -52.01 -15.55 0.57 Allowed 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 115.118 1.525 . . . . 25.0 115.118 172.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -51.2 -21.07 1.83 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.746 1.017 . . . . 25.0 113.746 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -92.47 9.62 33.59 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.767 1.395 . . . . 25.0 114.767 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.48 129.22 19.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.858 0.837 . . . . 25.0 109.747 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -93.87 78.11 4.18 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.492 -0.776 . . . . 25.0 112.968 -177.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 60.1 m . . . . . 0 C--O 1.256 1.44 0 CA-C-O 118.986 -0.53 . . . . 25.0 110.987 176.904 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.134 0 N-CA-C 111.948 -0.461 . . . . 25.0 111.948 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.66 170.55 16.39 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.197 -1.409 . . . . 25.0 107.197 176.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.34 -30.36 71.11 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.446 -0.501 . . . . 25.0 111.02 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.552 HD12 HG11 ' B' ' 14' ' ' VAL . 2.6 tt -64.54 -41.11 96.56 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 122.46 1.124 . . . . 25.0 109.745 177.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -71.07 -36.42 72.26 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.749 -0.659 . . . . 25.0 110.551 -174.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.6 p -74.07 -26.53 60.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 173.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.47 92.78 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 107.856 -1.164 . . . . 25.0 107.856 175.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.5 mmm -70.76 -32.76 70.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.651 0.611 . . . . 25.0 112.651 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.7 -29.6 68.9 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.4 m -64.46 -43.14 95.17 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 174.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.54 -37.81 82.42 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.83 -48.63 85.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.517 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -57.51 -46.95 83.18 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.598 0.714 . . . . 25.0 110.827 -177.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.545 HG11 HD12 ' B' ' 4' ' ' LEU . 71.9 t -61.87 -46.07 97.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.67 -0.696 . . . . 25.0 111.378 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.42 -45.96 92.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.152 0.501 . . . . 25.0 109.731 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -62.7 -27.63 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 124.006 0.922 . . . . 25.0 112.882 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.39 82.55 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -87.53 -21.44 25.44 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.37 0.605 . . . . 25.0 110.115 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.8 t -60.03 147.57 38.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.943 -0.571 . . . . 25.0 110.103 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.93 -22.1 6.11 Favored Glycine 0 C--O 1.223 -0.547 0 C-N-CA 120.925 -0.655 . . . . 25.0 113.448 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -63.16 -32.16 73.49 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.345 0.572 . . . . 25.0 110.048 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -69.57 -29.77 67.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.344 -0.844 . . . . 25.0 111.78 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.88 -30.66 6.48 Favored Glycine 0 C--N 1.32 -0.357 0 N-CA-C 109.55 -1.42 . . . . 25.0 109.55 -174.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -87.71 154.04 20.89 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.038 -1.467 . . . . 25.0 107.038 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -19.17 21.8 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.012 0.375 . . . . 25.0 112.012 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -107.27 8.75 30.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.244 -0.434 . . . . 25.0 111.993 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.91 149.04 52.28 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.967 -0.382 . . . . 25.0 109.967 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 tp -140.16 138.72 35.41 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.53 151.38 46.55 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.849 -0.341 . . . . 25.0 111.472 179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -62.22 -43.96 97.66 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 113.253 0.835 . . . . 25.0 113.253 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -29.08 70.14 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.211 0.914 . . . . 25.0 110.8 -178.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -75.32 -30.4 60.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.217 -0.902 . . . . 25.0 109.099 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.48 HD22 HG21 ' A' ' 69' ' ' VAL . 14.8 tp -65.27 -29.62 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.285 -0.416 . . . . 25.0 111.409 176.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.676 ' HB2' HD11 ' A' ' 61' ' ' LEU . 29.4 ttpt -62.24 -34.76 77.13 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.162 -0.615 . . . . 25.0 109.983 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.34 -46.72 82.23 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.49 -46.94 87.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.398 0.618 . . . . 25.0 109.791 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.96 -29.51 70.67 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.665 0.745 . . . . 25.0 111.948 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -81.69 -22.38 37.47 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.539 0.736 . . . . 25.0 111.893 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.8 m -101.4 -58.77 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.467 0.914 . . . . 25.0 113.467 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -82.71 -33.06 27.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.685 -0.634 . . . . 25.0 111.398 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.41 HD13 HD22 ' B' ' 4' ' ' LEU . 12.1 tp -97.51 9.91 41.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.473 0.654 . . . . 25.0 109.779 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.4 -36.36 21.82 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.381 1.993 . . . . 25.0 116.381 176.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.35 -38.79 62.46 Favored Glycine 0 N--CA 1.459 0.195 0 C-N-CA 120.238 -0.982 . . . . 25.0 110.807 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -69.49 -31.0 69.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.3 tp -69.75 -44.45 70.19 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 123.779 0.674 . . . . 25.0 110.479 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.3 -32.71 74.5 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.569 -0.742 . . . . 25.0 111.346 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.44 30.39 3.23 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 116.151 -0.477 . . . . 25.0 109.833 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.3 156.57 33.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -136.87 -47.25 0.6 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.15 0.5 . . . . 25.0 110.636 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -85.91 80.14 8.99 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.19 -23.55 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.682 -1.145 . . . . 25.0 113.863 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.77 -37.34 73.35 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.707 -0.621 . . . . 25.0 109.663 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.79 -37.64 55.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.905 -0.589 . . . . 25.0 112.235 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -66.38 -37.2 79.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.784 0.802 . . . . 25.0 109.143 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -80.4 -23.59 40.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 25.0 110.964 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -23.19 64.07 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.854 -0.612 . . . . 25.0 111.207 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.444 HG13 HD22 ' A' ' 77' ' ' LEU . 84.4 t -93.16 -48.86 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.476 -0.49 . . . . 25.0 110.877 173.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.1 mmt -65.73 -53.17 44.36 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 113.694 0.998 . . . . 25.0 113.694 -171.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -33.56 74.5 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.08 -46.02 90.96 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.463 -0.495 . . . . 25.0 110.103 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -79.12 -20.02 49.69 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 119.178 -1.009 . . . . 25.0 111.067 -176.786 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -57.39 -29.93 64.48 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 111.914 0.338 . . . . 25.0 111.914 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -107.66 -20.85 13.09 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.256 0.551 . . . . 25.0 111.69 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -96.5 16.85 17.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.978 0.894 . . . . 25.0 109.802 177.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.16 -18.89 67.6 Favored Glycine 0 C--O 1.218 -0.863 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 -171.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -89.06 8.19 31.08 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.974 0.892 . . . . 25.0 110.167 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.32 -158.12 34.18 Favored Glycine 0 N--CA 1.415 -2.737 0 N-CA-C 104.368 -3.493 . . . . 25.0 104.368 171.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -151.59 169.51 21.94 Favored 'General case' 0 C--N 1.309 -1.158 0 O-C-N 122.11 -0.641 . . . . 25.0 109.954 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.48 HG21 HD22 ' A' ' 33' ' ' LEU . 2.9 m -141.03 167.82 16.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 123.922 0.764 . . . . 25.0 110.338 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -123.8 -174.14 2.91 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.28 -48.17 71.54 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.541 ' HB2' HG11 ' B' ' 83' ' ' VAL . 64.1 tt0 -56.49 -44.65 80.89 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.684 0.674 . . . . 25.0 110.55 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -48.31 69.56 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 122.329 1.061 . . . . 25.0 108.827 -175.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -40.33 86.13 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.634 -1.166 . . . . 25.0 110.773 -176.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 83.0 t -71.39 -37.33 64.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 122.166 -0.334 . . . . 25.0 111.116 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.3 t -58.3 -44.95 89.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 177.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.444 HD22 HG13 ' A' ' 57' ' ' VAL . 32.0 mt -70.27 -36.78 74.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.85 0.357 . . . . 25.0 111.436 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.8 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 176.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.75 -36.03 81.48 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.817 -0.552 . . . . 25.0 110.519 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.64 94.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.222 0.534 . . . . 25.0 110.336 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.04 -34.78 75.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.347 0.594 . . . . 25.0 109.83 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.4 m -64.47 -43.78 93.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.211 -0.45 . . . . 25.0 111.046 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.467 HG11 ' HB2' ' B' ' 72' ' ' GLN . 35.0 m -72.41 -19.0 19.2 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.39 0.68 0.64 Allowed 'General case' 0 CA--C 1.551 0.991 0 CA-C-O 121.973 0.892 . . . . 25.0 111.715 169.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -58.2 -30.46 66.48 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.918 -1.114 . . . . 25.0 111.918 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.48 -27.36 6.42 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -61.18 -24.25 66.17 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -67.5 -18.84 65.2 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.502 -0.749 . . . . 25.0 111.512 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -120.05 5.09 10.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.271 -0.422 . . . . 25.0 111.699 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -137.48 103.22 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.565 0.698 . . . . 25.0 110.775 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -79.92 112.77 17.53 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 C--O 1.246 0.869 0 CA-C-N 115.351 -0.84 . . . . 25.0 109.421 176.386 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 CA-C-O 118.791 -1.005 . . . . 25.0 111.662 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.7 176.8 1.05 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.134 0.967 . . . . 25.0 110.106 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -62.72 -40.18 96.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.963 -0.461 . . . . 25.0 110.265 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.545 HD12 HG11 ' A' ' 14' ' ' VAL . 3.4 tt -63.57 -41.8 98.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.33 1.062 . . . . 25.0 109.991 176.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -69.69 -32.95 71.85 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 121.25 -0.906 . . . . 25.0 111.993 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -75.81 -27.44 57.92 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -45.93 92.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.629 -1.249 . . . . 25.0 107.629 172.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -70.67 -34.97 72.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -68.2 -28.29 67.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 119.881 -0.728 . . . . 25.0 109.407 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.0 m -63.58 -44.19 94.78 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.755 0.312 . . . . 25.0 110.427 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.64 -37.44 81.52 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.15 -46.51 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 119.389 -0.338 . . . . 25.0 110.253 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -58.76 -46.78 86.7 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.227 0.329 . . . . 25.0 110.667 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.552 HG11 HD12 ' A' ' 4' ' ' LEU . 85.4 t -63.63 -44.35 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 25.0 112.035 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.87 -47.03 86.82 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -61.82 -29.32 70.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 -175.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.16 97.64 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -92.36 -22.37 19.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.786 0.327 . . . . 25.0 110.989 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.2 t -63.04 154.93 29.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.014 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.16 -15.64 15.65 Favored Glycine 0 C--O 1.223 -0.537 0 N-CA-C 110.977 -0.849 . . . . 25.0 110.977 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -14.18 61.62 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.739 1.015 . . . . 25.0 113.739 -178.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -30.03 32.48 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.507 0.67 . . . . 25.0 110.395 177.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.65 -30.6 4.17 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.857 -176.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -93.47 153.73 18.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.487 -1.672 . . . . 25.0 106.487 164.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -76.51 -26.79 55.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -172.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -103.67 17.57 23.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.351 0.596 . . . . 25.0 110.12 -176.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -125.01 148.94 48.23 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.385 -0.825 . . . . 25.0 110.5 175.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.7 tp -137.85 136.91 37.59 Favored 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.15 148.88 51.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.499 0.59 . . . . 25.0 109.63 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.18 -43.89 95.51 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -26.99 67.16 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.754 0.706 . . . . 25.0 110.679 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -78.8 -23.51 45.12 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.39 -0.823 . . . . 25.0 109.502 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.4 tp -71.31 -28.76 64.33 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.575 -0.703 . . . . 25.0 110.063 173.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.602 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.0 ttpt -60.67 -31.59 70.83 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 120.454 -0.498 . . . . 25.0 109.995 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.8 -49.69 75.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.84 -45.74 93.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.33 -29.34 70.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.552 0.691 . . . . 25.0 111.825 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -81.98 -22.34 36.65 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 123.585 0.754 . . . . 25.0 112.388 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 37.5 m -105.26 -56.52 2.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -172.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -87.99 -24.11 23.63 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.922 -0.486 . . . . 25.0 111.574 -176.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.2 tp -105.11 10.37 33.93 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -51.13 -34.58 31.52 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.814 1.783 . . . . 25.0 115.814 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.35 -36.96 59.23 Favored Glycine 0 C--O 1.222 -0.597 0 C-N-CA 120.322 -0.942 . . . . 25.0 110.768 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.12 -29.63 65.49 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.889 -0.771 . . . . 25.0 109.398 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 25.1 tp -69.93 -43.23 72.04 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.88 -32.27 73.42 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.703 -0.68 . . . . 25.0 111.324 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.12 26.91 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -63.19 154.17 32.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.651 -0.5 . . . . 25.0 109.651 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -135.66 -54.66 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.022 0.439 . . . . 25.0 110.006 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -84.12 83.54 7.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.8 m -63.93 -28.73 45.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.996 -1.002 . . . . 25.0 112.596 -171.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.13 -35.48 80.6 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.14 -38.19 25.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.974 -0.557 . . . . 25.0 112.216 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -65.85 -39.06 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -80.54 -28.4 37.32 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.913 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -36.54 71.61 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 110.211 -0.292 . . . . 25.0 110.211 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.03 -43.04 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.397 0.617 . . . . 25.0 109.507 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.4 mmt -68.74 -50.69 48.58 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 112.482 0.549 . . . . 25.0 112.482 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -35.41 80.64 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.822 -0.351 . . . . 25.0 110.435 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -61.93 -43.85 97.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.72 -0.392 . . . . 25.0 110.348 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.602 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.92 -24.19 48.37 Favored 'General case' 0 C--O 1.206 -1.193 0 C-N-CA 118.879 -1.128 . . . . 25.0 110.437 -178.509 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.65 -25.81 67.61 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 111.963 0.357 . . . . 25.0 111.963 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -102.04 -23.23 14.12 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.375 0.607 . . . . 25.0 110.778 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -96.55 13.94 26.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.554 0.692 . . . . 25.0 109.618 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.7 -23.27 65.04 Favored Glycine 0 C--O 1.221 -0.669 0 N-CA-C 116.371 1.309 . . . . 25.0 116.371 -168.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -88.79 4.89 45.99 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.68 0.753 . . . . 25.0 110.229 -173.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.55 -156.14 31.53 Favored Glycine 0 N--CA 1.417 -2.624 0 N-CA-C 104.314 -3.514 . . . . 25.0 104.314 171.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.44 170.83 18.63 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.975 -0.721 . . . . 25.0 110.536 -173.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.25 165.52 17.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.754 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -123.01 -174.2 2.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 105.796 -1.928 . . . . 25.0 105.796 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -53.47 -48.35 68.96 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.467 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.3 tt0 -55.65 -45.77 77.59 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.315 0.507 . . . . 25.0 110.625 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -46.1 76.34 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-O 122.216 1.007 . . . . 25.0 108.75 -174.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -39.81 86.42 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.808 -1.087 . . . . 25.0 110.722 -177.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -71.04 -36.7 64.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 122.169 -0.332 . . . . 25.0 110.718 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 72' ' ' GLN . 58.4 t -59.52 -44.53 93.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 177.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -69.71 -37.57 76.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.893 0.378 . . . . 25.0 111.138 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.83 -43.91 99.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.9 83.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.038 -0.414 . . . . 25.0 110.567 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.36 90.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.315 0.578 . . . . 25.0 110.51 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.06 -32.33 68.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.655 0.741 . . . . 25.0 110.157 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 42.6 m -65.42 -44.97 85.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.067 -0.515 . . . . 25.0 110.489 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 72' ' ' GLN . 35.8 m -69.67 -22.44 25.13 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 N-CA-C 113.796 1.036 . . . . 25.0 113.796 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.68 -4.11 2.79 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 121.999 0.904 . . . . 25.0 110.82 170.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -66.51 -15.59 63.5 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.539 -1.351 . . . . 25.0 109.374 174.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -52.1 -30.93 28.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.832 -0.622 . . . . 25.0 112.159 174.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -61.94 -20.72 64.11 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 113.213 0.819 . . . . 25.0 113.213 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -63.67 -25.73 68.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.354 -0.841 . . . . 25.0 109.883 176.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -100.79 -1.97 33.51 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.403 0.89 . . . . 25.0 113.403 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -129.63 103.23 6.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.68 96.85 9.68 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.884 -1.053 . . . . 25.0 109.897 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.248 0.989 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 178.569 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.865 0 CA-C-O 118.955 -0.914 . . . . 25.0 111.233 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -68.3 168.7 11.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 117.497 0.649 . . . . 25.0 109.822 176.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -62.0 -39.26 91.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.478 HD22 HD13 ' B' ' 41' ' ' LEU . 3.4 tt -64.71 -41.83 95.71 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 121.576 0.703 . . . . 25.0 110.772 177.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.04 -37.2 85.27 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 121.512 -0.743 . . . . 25.0 111.628 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.2 p -76.1 -26.86 56.83 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.7 98.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 172.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.9 mmm -71.92 -31.16 66.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -69.64 -26.55 64.47 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.88 -0.728 . . . . 25.0 109.567 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 m -62.92 -43.53 98.54 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.162 0.506 . . . . 25.0 109.996 172.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.07 -36.57 84.45 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.72 -48.3 85.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -58.93 -50.93 72.18 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.225 0.536 . . . . 25.0 111.698 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.2 p -67.05 -35.96 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-N 115.612 -0.722 . . . . 25.0 112.629 -177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.48 -45.84 92.29 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.94 -1.1 . . . . 25.0 109.479 173.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -74.58 -14.06 60.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.254 1.205 . . . . 25.0 114.254 -175.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.76 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -93.22 -25.24 17.89 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 p -61.66 150.54 36.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.469 0.652 . . . . 25.0 111.489 -174.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.15 1.66 75.44 Favored Glycine 0 C--O 1.224 -0.469 0 C-N-CA 120.56 -0.828 . . . . 25.0 113.031 -175.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -56.55 -35.24 67.89 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.251 0.548 . . . . 25.0 111.352 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -100.02 -13.89 18.87 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.415 1.265 . . . . 25.0 114.415 -175.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.97 -31.2 3.96 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 118.5 2.16 . . . . 25.0 118.5 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -88.13 119.5 28.57 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 104.913 -2.254 . . . . 25.0 104.913 169.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -70.87 -32.21 69.12 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 113.999 1.111 . . . . 25.0 113.999 -168.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' B' ' 89' ' ' PHE . 17.4 m-30 -94.99 14.65 21.08 Favored 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 119.841 -0.744 . . . . 25.0 110.469 -175.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -127.34 158.57 36.91 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.787 -0.642 . . . . 25.0 109.915 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.1 tp -138.94 131.85 29.38 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.344 -1.354 . . . . 25.0 107.344 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.8 OUTLIER -65.99 151.38 46.92 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.428 -0.17 . . . . 25.0 111.068 -179.435 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -63.83 -41.1 97.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -28.56 70.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.748 1.158 . . . . 25.0 110.504 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -80.4 -27.42 38.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.644 0.735 . . . . 25.0 110.428 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.41 HD11 ' HD1' ' A' ' 74' ' ' TYR . 14.9 tp -64.38 -34.3 77.85 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.916 -0.49 . . . . 25.0 110.071 175.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HB2' HD11 ' A' ' 61' ' ' LEU . 6.9 ttpp -56.04 -37.73 69.62 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.22 -0.445 . . . . 25.0 110.865 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.33 -48.42 75.65 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.22 -44.98 96.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.68 -30.5 71.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 25.0 111.731 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.91 -21.69 37.22 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 122.818 0.447 . . . . 25.0 112.102 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.3 m -104.31 -53.87 2.64 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 -173.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -89.95 -22.24 22.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.426 HD13 HD22 ' B' ' 4' ' ' LEU . 14.4 tp -109.42 10.35 25.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.733 -0.84 . . . . 25.0 108.733 176.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.94 -40.01 13.41 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 115.239 1.57 . . . . 25.0 115.239 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.29 80.02 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.102 -1.047 . . . . 25.0 113.397 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.2 m-30 -82.55 -29.58 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.711 -0.876 . . . . 25.0 108.929 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.0 tp -69.55 -42.3 74.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.973 0.416 . . . . 25.0 110.135 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.06 -35.23 79.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.606 0.717 . . . . 25.0 110.726 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.43 28.43 3.72 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.984 -0.553 . . . . 25.0 110.807 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.23 155.44 24.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.161 0.505 . . . . 25.0 110.667 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -128.61 -48.48 1.27 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.065 -0.717 . . . . 25.0 109.065 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -81.01 90.11 5.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 25.0 110.59 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.5 m -67.18 -23.54 30.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.673 -0.694 . . . . 25.0 111.743 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -78.15 -41.0 36.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.076 0.465 . . . . 25.0 110.289 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.47 -39.92 44.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.43 -37.68 80.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.036 -0.727 . . . . 25.0 109.036 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.62 -27.78 40.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.877 -0.601 . . . . 25.0 110.629 -176.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -60.0 -37.29 79.26 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.858 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.413 HG13 HD22 ' A' ' 77' ' ' LEU . 78.1 t -70.92 -44.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.844 0.83 . . . . 25.0 109.516 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.6 mmt -69.53 -45.96 67.61 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.8 -174.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -36.09 82.54 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.589 -0.152 . . . . 25.0 110.589 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -62.09 -46.92 86.93 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -79.41 -19.55 49.74 Favored 'General case' 0 C--O 1.208 -1.123 0 C-N-CA 119.672 -0.811 . . . . 25.0 110.55 -174.219 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.31 -30.62 71.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.408 0.623 . . . . 25.0 110.274 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -98.29 -28.19 13.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.705 0.764 . . . . 25.0 110.307 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -98.37 17.17 19.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.365 -0.834 . . . . 25.0 111.584 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.73 -19.33 62.8 Favored Glycine 0 CA--C 1.502 -0.72 0 CA-C-O 121.389 0.438 . . . . 25.0 114.019 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -84.36 -4.49 58.92 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.741 0.782 . . . . 25.0 109.639 -173.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.59 -162.0 37.88 Favored Glycine 0 N--CA 1.423 -2.214 0 N-CA-C 106.506 -2.637 . . . . 25.0 106.506 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 18.2 pt-20 -150.23 165.58 32.52 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.152 -1.024 . . . . 25.0 109.443 -175.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.22 167.68 22.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.087 -0.96 . . . . 25.0 108.906 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -119.52 -174.15 2.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 104.921 -2.251 . . . . 25.0 104.921 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -52.89 -46.43 67.97 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 113.045 0.757 . . . . 25.0 113.045 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.499 ' HB2' HG11 ' B' ' 83' ' ' VAL . 62.4 tt0 -55.22 -49.7 71.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.492 0.587 . . . . 25.0 111.033 -177.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -73.18 -38.22 66.24 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 121.614 0.721 . . . . 25.0 109.627 -172.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.41 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -59.21 -41.37 88.42 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.575 -0.739 . . . . 25.0 109.809 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.3 t -71.49 -36.78 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 122.176 -0.328 . . . . 25.0 111.134 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -57.67 -44.34 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.413 HD22 HG13 ' A' ' 57' ' ' VAL . 25.1 mt -71.5 -35.54 70.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.309 -178.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.04 -43.64 97.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 175.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.3 83.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.955 -0.466 . . . . 25.0 110.915 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.54 99.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.313 0.578 . . . . 25.0 109.905 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -34.89 75.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.52 0.676 . . . . 25.0 109.976 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.8 m -63.32 -41.67 98.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.819 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.1 m -76.35 -23.98 15.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 O-C-N 121.042 -1.036 . . . . 25.0 111.956 177.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.16 -29.56 70.4 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 122.433 1.111 . . . . 25.0 108.697 172.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -69.48 -14.25 62.77 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.57 -1.331 . . . . 25.0 113.174 -177.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -51.49 -16.21 0.55 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 114.942 1.46 . . . . 25.0 114.942 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -52.54 -15.95 0.8 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 173.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -57.7 -28.85 64.19 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.919 0.488 . . . . 25.0 111.664 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -102.61 20.23 17.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.018 0.437 . . . . 25.0 111.559 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -142.28 -177.46 5.26 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 104.136 -2.542 . . . . 25.0 104.136 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -94.76 78.03 3.69 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 C--O 1.252 1.212 0 O-C-N 124.148 0.905 . . . . 25.0 110.096 -175.59 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.12 0 CA-C-O 119.035 -0.87 . . . . 25.0 111.233 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -70.26 175.41 4.65 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.72 -0.845 . . . . 25.0 108.72 173.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -61.58 -34.58 75.85 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.355 0.598 . . . . 25.0 109.735 176.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.426 HD22 HD13 ' A' ' 41' ' ' LEU . 3.3 tt -68.14 -41.76 81.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.196 0.522 . . . . 25.0 110.738 178.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.41 -40.18 95.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.464 -0.773 . . . . 25.0 110.683 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.9 p -71.51 -27.92 63.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.654 -0.418 . . . . 25.0 110.622 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.68 97.24 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.3 mmm -71.15 -31.98 68.37 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -67.71 -28.44 67.66 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.603 -0.686 . . . . 25.0 109.521 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.0 m -63.77 -43.19 97.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.092 0.472 . . . . 25.0 110.398 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.09 -37.78 88.69 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.06 -0.719 . . . . 25.0 109.06 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.26 -47.48 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.052 -0.722 . . . . 25.0 109.052 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -57.41 -50.8 71.84 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -70.92 -35.16 58.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 N-CA-C 112.661 0.615 . . . . 25.0 112.661 -175.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.78 -45.83 91.07 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.264 -0.897 . . . . 25.0 109.448 173.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -73.43 -14.1 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.12 1.156 . . . . 25.0 114.12 -175.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.51 94.86 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 175.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -94.08 -19.88 20.43 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.9 p -62.03 163.79 7.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.56 -8.87 71.62 Favored Glycine 0 C--O 1.221 -0.671 0 C-N-CA 120.923 -0.656 . . . . 25.0 112.787 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -64.82 -31.34 72.52 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 117.102 0.451 . . . . 25.0 110.905 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -74.94 -26.24 59.46 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.618 0.723 . . . . 25.0 111.157 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.75 -30.97 4.06 Favored Glycine 0 C--O 1.229 -0.183 0 CA-C-N 115.693 -0.685 . . . . 25.0 112.006 -177.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -99.69 129.88 45.86 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.015 -1.476 . . . . 25.0 107.015 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -75.16 -17.33 60.42 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 114.121 1.156 . . . . 25.0 114.121 -173.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -90.42 4.42 51.0 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -129.22 156.7 43.53 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.243 0.544 . . . . 25.0 111.975 -176.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.6 tp -141.13 135.63 31.09 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 108.141 -1.059 . . . . 25.0 108.141 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 1.0 OUTLIER -63.86 147.93 50.65 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 -179.585 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -63.65 -48.58 76.66 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.472 -0.767 . . . . 25.0 112.508 -177.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.462 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.88 -33.58 67.01 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.429 0.529 . . . . 25.0 112.429 176.488 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.05 -30.69 62.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.625 0.726 . . . . 25.0 110.875 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.2 -28.8 70.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.041 -0.527 . . . . 25.0 111.635 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.528 ' HB2' HD11 ' B' ' 61' ' ' LEU . 36.4 ttpt -61.89 -37.12 83.38 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 120.702 -0.399 . . . . 25.0 110.381 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.25 -44.11 84.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.27 -45.85 92.79 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.023 -0.535 . . . . 25.0 109.836 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.73 -29.46 70.68 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 121.4 0.619 . . . . 25.0 111.893 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -81.93 -20.55 38.44 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.014 0.526 . . . . 25.0 111.2 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -99.24 -55.27 2.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.739 -0.664 . . . . 25.0 111.95 -177.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -88.83 -18.65 27.21 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.478 HD13 HD22 ' A' ' 4' ' ' LEU . 8.4 tp -117.12 13.09 14.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.501 0.667 . . . . 25.0 109.791 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.54 -37.27 11.84 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 115.209 1.559 . . . . 25.0 115.209 175.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.95 -28.95 71.16 Favored Glycine 0 C--O 1.226 -0.391 0 C-N-CA 120.833 -0.699 . . . . 25.0 112.49 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -78.78 -26.83 44.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.687 -0.89 . . . . 25.0 108.741 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.43 -40.14 70.59 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.444 -0.576 . . . . 25.0 109.444 175.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.49 -33.15 74.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.455 0.645 . . . . 25.0 111.512 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.21 25.85 8.38 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.979 -0.555 . . . . 25.0 111.124 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -63.32 151.6 40.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.077 0.465 . . . . 25.0 109.963 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -127.44 -49.2 1.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.712 -0.848 . . . . 25.0 108.712 177.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -88.25 91.58 8.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.754 -0.657 . . . . 25.0 109.824 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.92 -30.28 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.647 -0.706 . . . . 25.0 111.504 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.56 -38.63 84.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.494 0.664 . . . . 25.0 110.103 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.61 -39.61 36.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.97 -0.559 . . . . 25.0 111.737 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.07 -39.21 79.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.803 -0.443 . . . . 25.0 109.803 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -79.45 -26.79 41.68 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 116.38 -0.373 . . . . 25.0 110.564 -176.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -55.83 -43.26 76.83 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.55 -43.5 90.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.56 0.695 . . . . 25.0 109.666 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.9 mmt -69.05 -49.21 59.5 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.79 -0.641 . . . . 25.0 112.211 -175.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -37.2 86.01 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 121.005 -0.278 . . . . 25.0 110.576 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.99 -46.1 90.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.92 -21.59 50.91 Favored 'General case' 0 C--O 1.209 -1.068 0 C-N-CA 119.133 -1.027 . . . . 25.0 110.492 -175.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.28 -27.87 69.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.305 0.574 . . . . 25.0 110.365 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -101.28 -22.73 14.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.535 0.684 . . . . 25.0 110.528 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -95.81 16.53 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.902 -0.59 . . . . 25.0 109.56 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.4 20.34 2.72 Favored Glycine 0 C--O 1.218 -0.855 0 CA-C-O 121.636 0.576 . . . . 25.0 113.623 -176.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -100.94 -30.11 11.83 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 174.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.38 -152.31 27.13 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 122.812 1.229 . . . . 25.0 114.649 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.461 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 9.8 pt-20 -148.78 171.11 16.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 113.598 -1.301 . . . . 25.0 110.376 -170.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 m -141.09 170.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.088 -0.96 . . . . 25.0 108.749 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -117.85 -174.12 2.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 105.734 -1.95 . . . . 25.0 105.734 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.52 -46.9 70.27 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 113.063 0.764 . . . . 25.0 113.063 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.448 ' O ' HG23 ' B' ' 76' ' ' VAL . 65.7 tt0 -54.69 -48.93 71.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 118.143 0.429 . . . . 25.0 111.0 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.38 -36.34 66.05 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.568 0.699 . . . . 25.0 109.785 -172.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -40.02 89.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.796 -0.638 . . . . 25.0 109.342 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 86.4 t -72.63 -35.89 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.257 -0.277 . . . . 25.0 110.985 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 72' ' ' GLN . 57.7 t -57.71 -44.97 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 176.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.4 mt -70.9 -37.03 72.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.353 -0.385 . . . . 25.0 111.411 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.1 t -62.23 -44.42 99.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.38 -37.61 87.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.098 -0.376 . . . . 25.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.29 97.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.28 0.562 . . . . 25.0 110.448 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.14 -36.56 77.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.453 0.644 . . . . 25.0 109.581 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -61.71 -43.4 98.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.152 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.499 HG11 ' HB2' ' A' ' 72' ' ' GLN . 23.3 m -71.65 -23.96 22.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 119.317 0.962 . . . . 25.0 113.195 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.47 -20.42 66.35 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.575 0.703 . . . . 25.0 110.005 174.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.435 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 72.9 m-20 -69.39 -15.46 63.31 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.067 -1.646 . . . . 25.0 114.231 -176.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -58.11 -20.88 43.49 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.623 0.647 . . . . 25.0 110.424 177.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -56.09 -15.85 4.23 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 113.941 1.089 . . . . 25.0 113.941 171.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.401 ' HB3' ' CE2' ' A' ' 26' ' ' TYR . 21.8 m-30 -63.77 -19.06 64.68 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 120.794 -1.191 . . . . 25.0 112.119 177.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -93.75 2.15 56.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.774 0.321 . . . . 25.0 111.092 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -120.39 103.31 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.693 0.759 . . . . 25.0 109.032 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.46 77.85 8.0 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.55 -0.738 . . . . 25.0 109.615 177.633 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.287 0 CA-C-O 119.509 -0.606 . . . . 25.0 111.767 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -76.27 175.44 9.06 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.86 -29.39 69.83 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 120.552 -0.459 . . . . 25.0 109.965 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.542 HD12 HG11 ' B' ' 14' ' ' VAL . 1.5 tt -66.52 -42.93 86.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.46 0.648 . . . . 25.0 109.662 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.73 -42.16 97.95 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.596 -0.69 . . . . 25.0 110.005 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 p -71.5 -27.25 63.09 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.568 -0.453 . . . . 25.0 110.632 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.39 87.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -71.66 -30.57 65.88 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.49 0.552 . . . . 25.0 112.49 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -70.26 -27.45 64.45 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 m -65.85 -42.98 89.8 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.86 -35.07 75.65 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.789 -0.819 . . . . 25.0 108.789 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -67.13 -45.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.62 -50.53 73.49 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.332 0.587 . . . . 25.0 110.342 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.435 HG11 HD12 ' B' ' 4' ' ' LEU . 73.0 t -62.49 -42.78 97.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.322 -0.854 . . . . 25.0 111.151 -178.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.42 -48.38 81.45 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.758 -0.589 . . . . 25.0 110.859 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -64.85 -23.3 67.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.753 0.279 . . . . 25.0 111.753 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.04 79.07 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.879 0.326 . . . . 25.0 111.879 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -102.43 -17.25 15.9 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.901 0.382 . . . . 25.0 111.08 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.3 m -70.89 155.32 40.95 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 121.886 0.85 . . . . 25.0 111.789 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.1 -7.91 62.66 Favored Glycine 0 C--O 1.223 -0.555 0 N-CA-C 109.53 -1.428 . . . . 25.0 109.53 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -27.75 68.27 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 108.331 -0.989 . . . . 25.0 108.331 173.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -75.42 -28.59 59.46 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.258 -0.883 . . . . 25.0 111.268 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.25 -30.49 5.4 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 115.567 -0.742 . . . . 25.0 111.26 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -99.62 132.68 44.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 106.422 -1.695 . . . . 25.0 106.422 173.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -70.02 -19.51 63.31 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.216 1.191 . . . . 25.0 114.216 -172.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -94.62 4.86 53.31 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.347 -0.22 . . . . 25.0 110.624 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -126.23 148.23 49.51 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.762 0.791 . . . . 25.0 111.387 -176.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.66 133.14 31.98 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 106.314 -1.736 . . . . 25.0 106.314 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.456 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -64.09 147.63 51.74 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 121.071 -0.252 . . . . 25.0 110.787 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -60.32 -51.45 69.45 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.398 -0.814 . . . . 25.0 112.981 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -30.76 68.17 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -78.19 -23.75 47.46 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.486 -0.325 . . . . 25.0 110.827 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.499 HD11 ' HD1' ' A' ' 74' ' ' TYR . 37.3 tp -69.81 -26.43 64.24 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 121.482 -0.761 . . . . 25.0 110.212 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.646 ' HB2' HD11 ' A' ' 61' ' ' LEU . 33.7 ttpt -61.69 -32.36 72.55 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 120.282 -0.567 . . . . 25.0 109.63 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.97 -47.58 85.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.64 -44.02 97.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.195 0.522 . . . . 25.0 109.835 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.75 -28.68 69.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.668 0.747 . . . . 25.0 111.721 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -81.89 -22.42 36.88 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 123.5 0.72 . . . . 25.0 111.484 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.1 m -101.78 -59.69 1.66 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.466 0.913 . . . . 25.0 113.466 -173.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.3 -43.15 19.54 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 122.021 0.915 . . . . 25.0 110.372 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tp -89.29 11.41 19.03 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.915 -1.039 . . . . 25.0 109.715 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -52.5 -37.33 57.16 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 115.381 1.623 . . . . 25.0 115.381 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.58 -37.79 52.23 Favored Glycine 0 C--O 1.226 -0.39 0 N-CA-C 110.057 -1.217 . . . . 25.0 110.057 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -66.88 -26.21 66.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.247 -0.476 . . . . 25.0 110.437 176.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.2 tp -78.43 -44.51 24.57 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.431 0.692 . . . . 25.0 110.617 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -65.73 -30.65 71.35 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.766 -0.652 . . . . 25.0 111.848 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.1 21.89 4.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.108 -0.37 . . . . 25.0 110.179 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.72 152.63 30.57 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.193 0.52 . . . . 25.0 110.133 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -133.62 -48.9 0.83 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.383 0.611 . . . . 25.0 109.619 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -83.53 82.08 8.45 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.4 m -63.28 -22.7 31.42 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 115.325 -0.852 . . . . 25.0 112.115 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.33 -43.13 67.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.569 -0.53 . . . . 25.0 109.569 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.51 -34.7 60.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.386 0.513 . . . . 25.0 112.386 -174.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.41 -36.68 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -79.99 -23.99 41.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.588 -0.733 . . . . 25.0 110.952 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.45 -23.44 64.44 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 116.558 -0.292 . . . . 25.0 110.98 174.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.1 t -92.9 -48.4 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.762 0.791 . . . . 25.0 110.406 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.1 mmt -68.22 -52.8 30.14 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 -173.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -35.98 82.15 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -58.88 -49.29 78.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.447 -0.501 . . . . 25.0 109.932 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.74 -21.0 48.65 Favored 'General case' 0 C--O 1.206 -1.217 0 C-N-CA 119.153 -1.019 . . . . 25.0 109.852 -174.183 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.62 -25.08 66.42 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 122.1 -0.375 . . . . 25.0 110.492 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -100.18 -27.05 13.72 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.509 0.671 . . . . 25.0 110.531 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -95.19 19.74 10.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.937 0.875 . . . . 25.0 109.278 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.9 32.29 2.72 Favored Glycine 0 C--O 1.216 -1.003 0 CA-C-N 115.326 -0.852 . . . . 25.0 112.758 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -115.88 -7.82 11.98 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 120.616 0.246 . . . . 25.0 111.173 171.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.43 -156.46 30.37 Favored Glycine 0 N--CA 1.435 -1.399 0 CA-C-O 122.964 1.314 . . . . 25.0 110.611 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -149.61 159.27 44.46 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 113.186 -1.507 . . . . 25.0 108.993 -174.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.07 170.5 16.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 123.386 0.674 . . . . 25.0 110.521 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -119.53 -174.13 2.67 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -53.57 -47.75 69.81 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 113.183 0.808 . . . . 25.0 113.183 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.529 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.4 tt0 -55.01 -45.25 75.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 118.082 0.401 . . . . 25.0 110.629 -177.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.03 -42.88 65.82 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 122.018 0.913 . . . . 25.0 109.891 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.499 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -57.17 -40.79 77.99 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.902 -1.044 . . . . 25.0 110.477 -179.648 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.7 t -71.9 -36.91 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 122.252 -0.28 . . . . 25.0 111.004 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.31 -45.25 93.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 177.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.1 mt -68.39 -37.86 80.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.185 0.517 . . . . 25.0 110.846 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.7 t -63.35 -43.8 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.292 -0.413 . . . . 25.0 110.051 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.31 86.25 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.999 -0.438 . . . . 25.0 110.566 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.33 96.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.376 0.608 . . . . 25.0 110.046 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.56 -37.94 80.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.351 0.596 . . . . 25.0 109.952 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.3 m -60.73 -47.91 84.18 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.389 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.536 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.3 m -64.54 -23.58 33.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 N-CA-C 113.207 0.818 . . . . 25.0 113.207 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.73 -4.93 0.5 Allowed 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 113.293 0.849 . . . . 25.0 113.293 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -15.71 60.8 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.217 -1.552 . . . . 25.0 112.304 -176.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -43.29 -31.56 0.65 Allowed 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 116.201 1.926 . . . . 25.0 116.201 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -58.79 -25.35 63.02 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.343 0.868 . . . . 25.0 113.343 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -66.69 -22.18 66.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.368 0.604 . . . . 25.0 110.689 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -111.39 13.07 21.55 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.796 -0.638 . . . . 25.0 111.067 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -109.93 103.84 12.67 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 122.319 1.057 . . . . 25.0 110.19 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.0 90.38 8.33 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.893 -1.048 . . . . 25.0 109.827 -177.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.6 p . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.229 -1.367 . . . . 25.0 110.548 176.877 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 119.549 -0.584 . . . . 25.0 111.747 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.34 174.65 3.16 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 173.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.37 -44.04 95.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.198 0.523 . . . . 25.0 111.518 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.435 HD12 HG11 ' A' ' 14' ' ' VAL . 2.7 tt -66.02 -39.9 90.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.011 0.91 . . . . 25.0 109.576 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -65.76 -38.42 89.03 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 121.832 -0.542 . . . . 25.0 111.126 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.2 p -71.8 -27.97 63.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.464 -0.495 . . . . 25.0 110.111 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.68 89.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -71.8 -31.46 66.59 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.98 -27.24 64.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.0 m -64.29 -43.04 96.01 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.981 0.42 . . . . 25.0 110.179 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.32 -35.52 77.62 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.701 -0.481 . . . . 25.0 109.701 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -65.52 -45.49 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -57.61 -50.13 74.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 25.0 110.526 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.542 HG11 HD12 ' A' ' 4' ' ' LEU . 89.0 t -62.66 -43.1 98.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.411 -0.813 . . . . 25.0 111.754 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -61.92 -46.99 86.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.839 -0.538 . . . . 25.0 110.415 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -67.08 -25.42 66.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.394 -0.366 . . . . 25.0 111.829 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.92 80.38 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.184 0.438 . . . . 25.0 112.184 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -99.41 -10.63 21.98 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 120.817 0.341 . . . . 25.0 110.879 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.2 m -65.98 156.75 32.68 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.924 0.868 . . . . 25.0 111.155 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.82 -11.19 62.58 Favored Glycine 0 CA--C 1.507 -0.439 0 CA-C-N 115.087 -0.961 . . . . 25.0 111.55 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -32.99 72.85 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -80.54 -24.79 39.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 122.06 0.933 . . . . 25.0 111.519 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.52 -30.31 4.28 Favored Glycine 0 C--O 1.241 0.591 0 CA-C-N 115.417 -0.81 . . . . 25.0 113.602 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -94.78 142.65 27.22 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 118.141 0.971 . . . . 25.0 110.552 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.27 -25.85 51.85 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 113.655 0.984 . . . . 25.0 113.655 -166.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -101.17 12.13 38.14 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -131.44 153.79 49.36 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.939 -0.573 . . . . 25.0 110.397 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.19 138.07 41.54 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 106.406 -1.701 . . . . 25.0 106.406 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -65.9 152.58 44.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -179.322 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -65.5 -52.02 55.8 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.215 0.916 . . . . 25.0 112.142 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -30.84 64.66 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.627 -0.67 . . . . 25.0 112.062 177.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -81.03 -23.53 38.54 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 121.218 0.532 . . . . 25.0 111.192 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.412 HD11 ' HD1' ' B' ' 74' ' ' TYR . 15.3 tp -66.48 -31.36 72.04 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 121.465 -0.772 . . . . 25.0 109.96 175.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.667 ' HB2' HD11 ' B' ' 61' ' ' LEU . 34.5 ttpt -60.12 -32.65 71.2 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.497 178.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -66.18 -48.72 69.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.33 -45.56 91.03 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.51 -30.18 71.09 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.06 -0.518 . . . . 25.0 111.579 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -81.47 -21.76 38.52 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 113.253 0.835 . . . . 25.0 113.253 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 35.5 m -100.75 -48.66 4.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.568 -1.651 . . . . 25.0 111.986 -173.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -94.18 -39.99 10.26 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.425 HD13 HD22 ' A' ' 4' ' ' LEU . 12.0 tp -90.57 10.61 24.84 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.298 1.047 . . . . 25.0 108.477 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -37.36 27.8 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 115.624 1.713 . . . . 25.0 115.624 177.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.98 -29.24 73.41 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 118.543 0.61 . . . . 25.0 112.173 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -80.7 -28.09 36.77 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.887 -0.773 . . . . 25.0 109.355 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.29 -40.8 77.49 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.259 0.349 . . . . 25.0 110.353 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.84 -35.6 81.12 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.894 0.854 . . . . 25.0 110.605 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.86 38.32 1.95 Allowed 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.532 -0.758 . . . . 25.0 109.888 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -71.28 157.6 37.83 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -135.36 -42.94 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -85.11 89.84 7.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 30.0 m -67.6 -22.12 28.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.844 -0.616 . . . . 25.0 111.944 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.73 -46.58 21.38 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.07 64.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -176.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.72 -37.8 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.31 -31.08 38.23 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.903 -0.589 . . . . 25.0 110.786 -174.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -64.08 -33.86 76.72 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.5 t -69.18 -40.66 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.9 mmt -70.21 -48.48 56.87 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 115.03 -0.986 . . . . 25.0 111.624 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -37.08 86.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.266 -0.272 . . . . 25.0 110.266 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -59.52 -48.55 81.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.72 -20.5 53.44 Favored 'General case' 0 C--O 1.212 -0.898 0 C-N-CA 118.854 -1.138 . . . . 25.0 110.082 -173.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.7 -25.01 65.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.902 0.382 . . . . 25.0 110.617 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -101.31 -25.71 13.87 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.167 0.508 . . . . 25.0 110.292 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -94.88 25.34 4.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.104 -1.072 . . . . 25.0 108.104 174.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.77 29.9 4.0 Favored Glycine 0 C--O 1.224 -0.473 0 CA-C-O 122.206 0.892 . . . . 25.0 110.902 -177.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -104.53 -29.88 10.38 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.979 -0.61 . . . . 25.0 110.497 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -101.08 -149.44 23.06 Favored Glycine 0 N--CA 1.437 -1.273 0 CA-C-O 122.349 0.972 . . . . 25.0 114.271 -173.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.452 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 10.9 pt-20 -149.72 156.49 41.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.217 -0.992 . . . . 25.0 110.616 -171.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -128.58 174.13 12.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.313 -0.858 . . . . 25.0 110.56 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -124.04 -174.47 3.0 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -52.38 -47.88 65.93 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 113.293 0.849 . . . . 25.0 113.293 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.536 ' HB2' HG11 ' A' ' 83' ' ' VAL . 64.5 tt0 -55.46 -46.95 76.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.421 0.555 . . . . 25.0 111.442 -177.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -42.84 70.37 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 122.184 0.993 . . . . 25.0 109.156 -173.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.412 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -59.56 -40.11 86.2 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.01 -0.995 . . . . 25.0 110.611 -179.202 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.2 t -71.45 -36.47 60.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 121.113 -0.235 . . . . 25.0 110.856 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 72' ' ' GLN . 61.8 t -58.52 -46.02 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.8 mt -69.98 -37.19 75.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.923 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 t -62.8 -43.54 98.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.14 84.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.056 -0.403 . . . . 25.0 110.728 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.78 98.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.27 0.557 . . . . 25.0 110.284 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.87 -34.34 73.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.352 0.596 . . . . 25.0 109.811 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 88.7 m -62.95 -42.4 99.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.032 -0.418 . . . . 25.0 111.428 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.529 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.8 m -72.49 -26.35 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 119.412 1.005 . . . . 25.0 111.346 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.62 -21.68 65.38 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 122.147 0.975 . . . . 25.0 110.002 173.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -77.28 -14.94 59.65 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.142 1.377 . . . . 25.0 112.628 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -42.43 -16.19 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 121.022 3.712 . . . . 25.0 121.022 -171.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -15.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 118.353 2.723 . . . . 25.0 118.353 -172.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -51.65 -31.84 27.05 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.39 0.996 . . . . 25.0 110.94 172.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -95.85 16.63 17.09 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -114.78 111.23 20.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.811 0.815 . . . . 25.0 109.553 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.68 86.8 3.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.338 -0.847 . . . . 25.0 110.195 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 44.3 m . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.402 -0.809 . . . . 25.0 109.966 176.323 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.803 0 CA-C-O 118.509 -1.162 . . . . 25.0 111.396 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m -64.96 171.21 3.67 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 117.88 0.84 . . . . 25.0 108.903 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -35.33 78.07 Favored 'General case' 0 C--O 1.214 -0.813 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.096 177.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.609 HD22 HD13 ' B' ' 41' ' ' LEU . 2.5 tt -66.58 -42.3 87.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.349 0.595 . . . . 25.0 110.612 177.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -64.97 -41.65 95.27 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.707 -0.621 . . . . 25.0 110.684 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.3 p -74.0 -28.46 61.46 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.081 -0.34 . . . . 25.0 110.081 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -47.15 86.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.037 -1.097 . . . . 25.0 108.037 175.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.7 mmm -69.71 -32.27 70.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.876 -0.515 . . . . 25.0 111.985 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -67.46 -31.0 70.86 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 m -63.76 -43.4 96.55 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 174.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.74 -37.25 85.83 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.03 -48.26 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.427 -0.583 . . . . 25.0 109.427 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -59.81 -49.52 77.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.848 0.356 . . . . 25.0 111.601 -177.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 p -69.34 -34.59 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 122.31 -0.244 . . . . 25.0 110.854 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -61.12 -46.74 89.34 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.432 -0.793 . . . . 25.0 110.07 172.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -63.08 -30.68 71.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 25.0 111.588 -177.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.2 -39.01 77.88 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -95.06 -13.84 24.81 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.747 0.277 . . . . 25.0 111.747 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 m -70.89 161.47 30.97 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.601 0.963 . . . . 25.0 113.601 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.9 -10.58 29.67 Favored Glycine 0 N--CA 1.475 1.279 0 N-CA-C 110.222 -1.151 . . . . 25.0 110.222 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -61.88 -39.81 93.22 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 109.845 -0.428 . . . . 25.0 109.845 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -96.06 41.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 123.292 1.52 . . . . 25.0 114.412 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.31 -30.92 3.58 Favored Glycine 0 C--N 1.308 -0.975 0 N-CA-C 117.541 1.776 . . . . 25.0 117.541 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -122.07 147.1 46.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 118.058 0.929 . . . . 25.0 113.211 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HG3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -61.14 -24.12 66.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 115.782 1.771 . . . . 25.0 115.782 -174.577 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -105.53 15.28 27.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 118.192 0.451 . . . . 25.0 110.75 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -124.56 138.85 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.689 0.757 . . . . 25.0 111.539 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.52 134.37 48.66 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.16 153.68 42.83 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 119.548 -0.861 . . . . 25.0 109.652 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -64.06 -43.62 94.92 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 113.422 0.897 . . . . 25.0 113.422 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -30.57 71.65 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.446 1.021 . . . . 25.0 110.189 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -77.99 -27.77 49.15 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.353 -0.839 . . . . 25.0 110.169 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.409 HD22 HG21 ' A' ' 69' ' ' VAL . 18.2 tp -63.7 -33.58 75.95 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 121.919 -0.488 . . . . 25.0 110.67 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.578 ' HB2' HD11 ' A' ' 61' ' ' LEU . 33.7 ttpt -60.5 -32.41 71.42 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 120.729 -0.389 . . . . 25.0 110.743 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.25 -48.73 76.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.18 -46.21 90.48 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.119 -0.697 . . . . 25.0 109.119 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.68 -31.08 72.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 25.0 111.892 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.98 -22.4 36.62 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 122.876 0.471 . . . . 25.0 111.874 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.0 m -97.88 -59.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.581 0.586 . . . . 25.0 112.581 -175.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -85.94 -25.56 26.01 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.391 0.515 . . . . 25.0 112.391 -174.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.501 HD13 HD22 ' B' ' 4' ' ' LEU . 11.9 tp -103.56 10.76 36.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 176.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -48.02 -39.15 18.89 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.677 1.732 . . . . 25.0 115.677 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.27 65.02 Favored Glycine 0 C--N 1.324 -0.098 0 N-CA-C 110.7 -0.96 . . . . 25.0 110.7 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -70.03 -32.66 70.9 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.778 -0.837 . . . . 25.0 108.906 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -41.95 76.45 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 120.782 0.325 . . . . 25.0 110.889 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.69 -35.77 80.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.666 0.746 . . . . 25.0 111.004 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.8 29.08 3.53 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.76 -0.655 . . . . 25.0 110.156 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.4 153.18 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -126.4 -50.23 1.53 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -86.01 82.12 8.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.867 0.841 . . . . 25.0 109.208 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.41 -23.03 32.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 114.909 -1.041 . . . . 25.0 113.452 -174.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.32 -42.94 61.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.31 0.576 . . . . 25.0 109.703 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.77 62.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.875 -174.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -64.6 -37.9 81.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -77.42 -28.05 52.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.485 -0.78 . . . . 25.0 111.814 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -55.75 -39.96 71.9 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 122.353 -0.217 . . . . 25.0 110.994 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.8 t -74.26 -45.62 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.367 0.603 . . . . 25.0 110.105 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -67.72 -47.18 70.09 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 -173.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -65.77 -35.3 80.33 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.774 -0.371 . . . . 25.0 110.523 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -47.55 81.62 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 177.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -76.48 -20.47 56.96 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 119.704 -0.798 . . . . 25.0 109.721 -172.052 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -24.67 67.91 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.508 -0.477 . . . . 25.0 111.099 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -102.83 -27.44 12.66 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.627 0.727 . . . . 25.0 111.237 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -97.11 13.97 27.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.524 -0.762 . . . . 25.0 110.871 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.41 -19.53 62.3 Favored Glycine 0 C--O 1.219 -0.798 0 N-CA-C 114.958 0.743 . . . . 25.0 114.958 -171.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -87.29 3.84 45.15 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.842 0.829 . . . . 25.0 109.886 -172.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.34 -158.44 34.07 Favored Glycine 0 N--CA 1.421 -2.335 0 N-CA-C 106.402 -2.679 . . . . 25.0 106.402 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.74 165.43 35.34 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.817 -0.692 . . . . 25.0 109.86 -174.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.409 HG21 HD22 ' A' ' 33' ' ' LEU . 2.5 m -140.2 167.65 18.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.068 -0.969 . . . . 25.0 109.214 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -123.06 -174.17 2.88 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 105.491 -2.04 . . . . 25.0 105.491 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -52.37 -46.96 66.42 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' HB2' HG11 ' B' ' 83' ' ' VAL . 59.1 tt0 -55.11 -48.12 74.05 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.517 0.599 . . . . 25.0 111.064 -178.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -73.02 -40.83 64.84 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-O 121.873 0.844 . . . . 25.0 108.861 -171.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -42.36 86.91 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.065 -0.971 . . . . 25.0 110.08 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.6 t -71.1 -37.38 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 122.027 -0.421 . . . . 25.0 111.306 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.15 -43.91 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.38 -36.28 71.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.547 -0.297 . . . . 25.0 111.532 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.5 t -62.65 -43.06 98.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 175.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.1 83.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.152 -0.343 . . . . 25.0 110.763 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.73 94.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 25.0 110.469 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.21 -34.48 72.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.127 0.489 . . . . 25.0 109.797 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.1 m -64.14 -42.35 96.83 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 122.21 -0.307 . . . . 25.0 111.22 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.49 HG11 ' HB2' ' B' ' 72' ' ' GLN . 33.3 m -73.52 -19.04 17.9 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 O-C-N 121.353 -0.842 . . . . 25.0 112.189 177.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.09 0.46 1.94 Allowed 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 121.954 0.883 . . . . 25.0 110.965 169.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -57.65 -26.16 61.24 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 121.06 -1.025 . . . . 25.0 113.239 -172.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -53.14 -22.75 6.81 Favored 'General case' 0 C--O 1.219 -0.527 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -56.66 -26.11 55.45 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.48 ' HB3' ' CE2' ' B' ' 26' ' ' TYR . 25.4 m-85 -63.23 -21.89 66.51 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 121.136 -0.978 . . . . 25.0 112.067 176.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -116.31 -10.49 11.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.426 0.631 . . . . 25.0 112.498 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -130.0 99.19 5.0 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 106.009 -1.849 . . . . 25.0 106.009 173.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -98.81 77.95 2.28 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.555 -1.202 . . . . 25.0 110.861 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.7 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.167 -0.921 . . . . 25.0 109.07 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.002 0 CA-C-O 119.388 -0.674 . . . . 25.0 111.581 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 97.4 p -70.26 172.67 7.8 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 172.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -63.98 -31.11 72.17 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.071 -0.652 . . . . 25.0 110.227 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.501 HD22 HD13 ' A' ' 41' ' ' LEU . 5.0 tt -67.77 -43.13 80.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.849 0.833 . . . . 25.0 109.114 178.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.14 -35.58 76.53 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.76 -0.587 . . . . 25.0 111.072 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.7 p -73.31 -27.48 61.56 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.265 -0.574 . . . . 25.0 109.636 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.22 91.99 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 107.442 -1.318 . . . . 25.0 107.442 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.8 mmm -70.95 -32.43 69.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.48 -27.94 66.59 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.603 -0.685 . . . . 25.0 109.177 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.6 m -63.78 -42.82 97.69 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.24 -37.07 85.79 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -63.69 -48.83 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -60.53 -45.66 93.02 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 112.407 0.521 . . . . 25.0 112.407 -177.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 p -73.35 -34.85 44.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 119.235 -0.412 . . . . 25.0 111.424 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -59.04 -49.95 75.96 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 118.989 0.813 . . . . 25.0 108.843 172.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -62.28 -23.7 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.047 -0.979 . . . . 25.0 113.5 -175.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.89 97.57 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.355 -0.216 . . . . 25.0 111.464 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -91.54 -17.9 24.94 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.445 0.165 . . . . 25.0 111.445 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -56.94 154.81 8.9 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.32 16.89 54.7 Favored Glycine 0 C--O 1.228 -0.26 0 N-CA-C 115.279 0.871 . . . . 25.0 115.279 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -66.13 -31.37 72.19 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -91.7 -3.09 56.67 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 114.436 -1.256 . . . . 25.0 112.841 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.44 -30.87 8.79 Favored Glycine 0 CA--C 1.521 0.445 0 CA-C-O 119.661 -0.522 . . . . 25.0 114.093 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -82.61 110.54 17.78 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 106.587 -1.635 . . . . 25.0 106.587 174.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -76.95 -14.08 59.9 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 115.318 1.599 . . . . 25.0 115.318 -168.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 89' ' ' PHE . 11.5 m-30 -101.75 10.41 40.02 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 -178.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -123.59 166.74 14.95 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 123.984 0.914 . . . . 25.0 109.028 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 138.49 24.93 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 105.941 -1.874 . . . . 25.0 105.941 170.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -70.26 151.61 45.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 119.033 0.833 . . . . 25.0 109.983 -177.22 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -61.26 -42.21 98.23 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.53 0.937 . . . . 25.0 113.53 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -28.4 68.77 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.393 0.997 . . . . 25.0 110.72 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.18 -23.51 47.57 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 tp -70.34 -30.67 67.68 Favored 'General case' 0 C--O 1.219 -0.538 0 O-C-N 121.787 -0.57 . . . . 25.0 110.062 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.589 ' HB2' HD11 ' B' ' 61' ' ' LEU . 35.9 ttpt -61.9 -34.46 76.09 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -65.71 -49.39 68.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.809 -0.811 . . . . 25.0 108.809 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.33 -45.35 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.366 0.603 . . . . 25.0 110.121 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.26 -29.78 71.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.136 0.493 . . . . 25.0 111.286 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -81.89 -22.39 36.88 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.984 0.364 . . . . 25.0 111.984 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -98.62 -54.37 3.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.692 -0.685 . . . . 25.0 111.485 -173.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -91.09 -26.89 18.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.181 0.515 . . . . 25.0 112.382 -173.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.609 HD13 HD22 ' A' ' 4' ' ' LEU . 11.1 tp -105.87 12.21 30.96 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.593 0.711 . . . . 25.0 109.312 177.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.08 -39.15 8.9 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 115.428 1.64 . . . . 25.0 115.428 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.99 -32.82 77.8 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.007 -1.092 . . . . 25.0 113.065 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -70.8 -27.69 64.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.508 -0.996 . . . . 25.0 109.258 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 31.0 mt -77.93 -37.48 47.59 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.642 0.589 . . . . 25.0 111.215 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.8 -34.49 78.28 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 122.074 0.94 . . . . 25.0 109.519 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.72 31.75 4.27 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 115.12 -0.945 . . . . 25.0 110.639 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -62.9 162.57 10.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.973 0.416 . . . . 25.0 109.92 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.402 ' HB3' ' CG ' ' B' ' 88' ' ' PHE . 70.3 mmtt -136.31 -61.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.083 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -76.86 92.14 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.1 m -66.22 -27.34 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.429 -175.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.45 -43.46 49.47 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.06 -40.07 63.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.047 -0.408 . . . . 25.0 112.072 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.84 -39.67 85.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -30.23 36.74 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.03 0.443 . . . . 25.0 111.062 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -58.28 -36.65 73.6 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 110.121 -0.325 . . . . 25.0 110.121 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.62 -42.43 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.886 -0.783 . . . . 25.0 108.886 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.8 mmt -67.69 -49.43 62.76 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -36.3 83.21 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.693 -0.403 . . . . 25.0 110.613 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.87 -41.39 99.36 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.677 -0.409 . . . . 25.0 110.353 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -78.04 -24.57 47.72 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 118.875 -1.13 . . . . 25.0 110.432 -179.552 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.14 -26.51 67.74 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.142 0.423 . . . . 25.0 112.142 -176.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -102.38 -20.36 14.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.399 0.619 . . . . 25.0 110.826 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -98.17 12.31 34.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.808 -0.633 . . . . 25.0 109.619 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.91 -22.22 66.35 Favored Glycine 0 C--O 1.221 -0.665 0 N-CA-C 116.495 1.358 . . . . 25.0 116.495 -167.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -91.37 5.25 50.06 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 121.55 0.69 . . . . 25.0 111.039 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.5 -160.66 36.5 Favored Glycine 0 N--CA 1.417 -2.613 0 N-CA-C 103.376 -3.89 . . . . 25.0 103.376 171.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.446 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.1 OUTLIER -146.98 167.01 25.08 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 122.156 -0.614 . . . . 25.0 110.47 -174.264 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.8 m -134.94 167.08 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.15 -0.932 . . . . 25.0 109.84 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -122.03 -173.98 2.78 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 104.773 -2.306 . . . . 25.0 104.773 172.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -52.4 -47.71 66.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.701 1.0 . . . . 25.0 113.701 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.49 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.2 tt0 -56.62 -47.18 80.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.75 0.705 . . . . 25.0 111.323 -177.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.71 -44.12 74.58 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 122.272 1.034 . . . . 25.0 108.648 -173.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -39.09 89.07 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.995 -1.002 . . . . 25.0 110.436 -176.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.9 t -71.46 -36.58 61.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 122.251 -0.281 . . . . 25.0 110.484 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 72' ' ' GLN . 59.7 t -58.34 -45.15 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 176.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 48.1 mt -69.45 -37.31 77.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.75 0.309 . . . . 25.0 111.433 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.0 t -63.4 -43.11 98.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.0 86.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.041 -0.412 . . . . 25.0 110.547 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.2 96.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.311 0.577 . . . . 25.0 110.392 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.04 -34.82 75.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.682 0.753 . . . . 25.0 109.711 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 44.6 m -64.93 -43.6 92.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.111 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.515 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.3 m -70.81 -21.96 22.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.31 -24.82 57.5 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 122.133 0.968 . . . . 25.0 108.727 171.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.82 -31.76 73.14 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.629 -1.295 . . . . 25.0 113.632 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -56.42 -27.35 56.34 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.351 0.596 . . . . 25.0 111.772 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.402 ' CG ' ' HB3' ' B' ' 49' ' ' LYS . 5.9 m-85 -85.97 -14.47 44.53 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -178.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -73.4 9.24 1.39 Allowed 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 121.381 0.61 . . . . 25.0 111.878 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -100.58 11.28 39.82 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -159.16 177.2 11.33 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 101.586 -3.487 . . . . 25.0 101.586 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -94.82 77.91 3.66 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 106.794 -1.558 . . . . 25.0 106.794 162.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 119.112 -0.471 . . . . 25.0 111.609 177.763 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.464 0 CA-C-O 119.347 -0.696 . . . . 25.0 111.711 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.11 175.91 1.91 Allowed 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 172.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -58.82 -45.22 90.46 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.482 0.658 . . . . 25.0 111.634 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.415 HD12 HG11 ' B' ' 14' ' ' VAL . 2.7 tt -66.67 -39.73 88.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.047 0.927 . . . . 25.0 109.308 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -67.32 -36.38 81.34 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 121.448 -0.782 . . . . 25.0 111.205 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 p -71.52 -28.13 63.68 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.504 -0.478 . . . . 25.0 109.803 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.41 -46.91 84.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.9 mmm -71.87 -32.11 67.13 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -70.67 -25.54 63.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -66.01 -43.29 88.1 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 122.046 -0.409 . . . . 25.0 110.179 171.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.89 -36.09 76.21 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.83 -46.09 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.678 -0.49 . . . . 25.0 109.678 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.87 -48.5 81.17 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.189 0.518 . . . . 25.0 110.801 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.419 HG11 HD12 ' B' ' 4' ' ' LEU . 78.4 t -63.35 -43.66 98.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.556 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -61.62 -49.6 75.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.385 0.612 . . . . 25.0 109.907 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -59.1 -31.3 68.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.462 -0.79 . . . . 25.0 112.06 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.67 85.24 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.137 0.421 . . . . 25.0 112.137 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -90.39 -20.22 23.08 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.347 0.499 . . . . 25.0 112.347 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -59.71 159.53 8.59 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.121 1.156 . . . . 25.0 114.121 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.5 22.05 52.1 Favored Glycine 0 C--O 1.228 -0.239 0 C-N-CA 120.8 -0.714 . . . . 25.0 114.503 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -69.0 -32.31 71.77 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 107.942 -1.133 . . . . 25.0 107.942 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.89 -6.31 58.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.814 -1.539 . . . . 25.0 111.688 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.09 -30.17 10.96 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 115.841 -0.618 . . . . 25.0 113.569 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -84.0 107.44 16.36 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 107.027 -1.472 . . . . 25.0 107.027 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -71.26 -8.79 55.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 114.2 1.185 . . . . 25.0 114.2 -170.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -100.8 5.74 43.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.797 -0.565 . . . . 25.0 109.909 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -119.84 160.19 23.12 Favored 'General case' 0 CA--C 1.509 -0.599 0 C-N-CA 123.891 0.876 . . . . 25.0 111.397 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 tp -142.71 128.64 19.52 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.782 -1.562 . . . . 25.0 106.782 170.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -64.27 146.87 53.64 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.816 -0.809 . . . . 25.0 108.816 -178.601 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -60.58 -41.33 94.42 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 113.396 0.887 . . . . 25.0 113.396 -174.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -28.46 69.42 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.821 -1.175 . . . . 25.0 110.251 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -81.59 -24.9 36.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.504 0.669 . . . . 25.0 109.525 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.44 HD11 ' HD1' ' A' ' 74' ' ' TYR . 8.7 tp -67.2 -37.02 82.94 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 173.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.629 ' HB2' HD11 ' A' ' 61' ' ' LEU . 31.7 ttpt -60.43 -33.58 72.73 Favored 'General case' 0 C--O 1.215 -0.757 0 C-N-CA 120.403 -0.519 . . . . 25.0 110.487 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -63.5 -48.16 78.74 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.31 -46.55 88.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.457 0.646 . . . . 25.0 109.311 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.35 -32.08 72.81 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.789 -0.642 . . . . 25.0 111.576 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -81.79 -22.82 36.93 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 122.965 0.506 . . . . 25.0 110.9 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.4 m -90.56 -51.59 5.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.88 -0.6 . . . . 25.0 111.896 -176.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -93.8 -42.93 8.85 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.438 0.532 . . . . 25.0 112.438 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.427 HD13 HD22 ' B' ' 4' ' ' LEU . 9.2 tp -86.58 10.18 16.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.649 0.738 . . . . 25.0 109.899 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -38.13 21.08 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 115.303 1.594 . . . . 25.0 115.303 174.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.18 -34.17 61.48 Favored Glycine 0 C--O 1.227 -0.305 0 C-N-CA 120.479 -0.867 . . . . 25.0 111.389 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -71.84 -30.45 65.49 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.695 -0.886 . . . . 25.0 109.086 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -70.43 -41.03 73.44 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 120.67 0.272 . . . . 25.0 110.594 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -66.51 -35.37 80.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.656 0.741 . . . . 25.0 110.781 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.65 42.22 1.27 Allowed 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.713 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -71.91 156.02 39.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.128 -0.942 . . . . 25.0 108.718 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -127.88 -53.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.406 0.622 . . . . 25.0 109.624 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.42 84.21 7.73 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.552 0.691 . . . . 25.0 109.48 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.7 m -61.63 -25.96 38.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.277 -0.874 . . . . 25.0 111.77 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -69.47 -39.71 77.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.219 0.533 . . . . 25.0 110.771 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.01 -37.81 25.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 p -64.71 -38.33 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 -176.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -79.24 -27.72 42.41 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.556 -0.747 . . . . 25.0 110.659 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -60.29 -38.41 83.53 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.507 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.52 -43.13 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.89 0.852 . . . . 25.0 108.759 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.2 mmt -68.2 -49.55 60.06 Favored 'General case' 0 CA--C 1.49 -1.328 0 CA-C-N 115.599 -0.728 . . . . 25.0 112.49 -175.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -35.7 81.39 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.981 -0.288 . . . . 25.0 110.374 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -60.39 -48.12 83.13 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.133 -0.691 . . . . 25.0 109.133 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -79.03 -21.49 46.82 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 119.237 -0.985 . . . . 25.0 110.905 -174.001 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.59 -27.48 67.76 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.951 0.405 . . . . 25.0 111.433 -177.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -107.1 -22.97 12.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.332 0.587 . . . . 25.0 111.588 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -96.64 16.25 19.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.865 0.84 . . . . 25.0 109.877 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.43 -18.3 63.12 Favored Glycine 0 C--O 1.216 -1.02 0 N-CA-C 115.701 1.04 . . . . 25.0 115.701 -170.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.96 5.43 50.12 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.759 0.79 . . . . 25.0 110.956 -169.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.35 -157.14 33.37 Favored Glycine 0 N--CA 1.42 -2.408 0 N-CA-C 104.88 -3.288 . . . . 25.0 104.88 173.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.0 pt-20 -148.41 164.29 34.57 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.49 165.48 24.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -115.39 -174.12 2.45 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.627 -1.62 . . . . 25.0 106.627 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.53 -47.54 66.63 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.053 0.76 . . . . 25.0 113.053 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.7 tt0 -54.75 -47.07 74.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 118.311 0.505 . . . . 25.0 110.906 -177.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.69 -41.65 62.35 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.896 0.855 . . . . 25.0 109.267 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.44 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -56.1 -40.61 73.96 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.318 -0.855 . . . . 25.0 109.914 178.677 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 77.1 t -72.15 -37.21 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 122.239 -0.288 . . . . 25.0 111.069 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 72' ' ' GLN . 62.5 t -57.82 -46.78 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 121.477 0.656 . . . . 25.0 109.262 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.68 -37.12 76.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.949 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.9 t -63.44 -43.79 98.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 175.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.38 85.82 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.065 -0.397 . . . . 25.0 110.665 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.16 98.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.33 0.586 . . . . 25.0 110.35 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 tt -68.56 -37.26 79.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 25.0 109.901 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.241 -0.436 . . . . 25.0 111.414 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.453 HG11 ' HB2' ' B' ' 72' ' ' GLN . 29.1 m -69.32 -26.8 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 119.167 0.894 . . . . 25.0 112.045 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.33 -4.38 21.87 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.789 0.804 . . . . 25.0 111.437 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -95.8 -11.32 27.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.474 2.31 . . . . 25.0 115.439 -173.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -43.07 -21.12 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 115.53 1.678 . . . . 25.0 115.53 -171.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -40.89 -21.17 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 118.01 2.596 . . . . 25.0 118.01 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -57.2 -26.91 61.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 119.453 1.024 . . . . 25.0 111.899 174.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -124.0 10.61 8.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.523 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -144.21 113.75 7.09 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 -175.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -94.77 77.96 3.69 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 174.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.241 0.652 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 178.387 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.527 0 CA-C-O 119.471 -0.627 . . . . 25.0 111.757 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -70.38 178.62 2.82 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 107.95 -1.13 . . . . 25.0 107.95 171.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.44 -43.69 96.58 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.354 0.597 . . . . 25.0 110.794 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.427 HD22 HD13 ' A' ' 41' ' ' LEU . 3.6 tt -65.68 -42.24 91.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.827 0.822 . . . . 25.0 109.607 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.58 -34.8 77.77 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.348 -0.845 . . . . 25.0 111.712 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.8 p -71.3 -28.24 63.97 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.186 -0.606 . . . . 25.0 109.841 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.79 83.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 175.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -71.12 -32.98 69.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -69.62 -26.24 64.33 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 109.381 -0.6 . . . . 25.0 109.381 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 58.5 m -65.64 -43.58 89.01 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 122.02 -0.425 . . . . 25.0 110.298 171.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.3 -36.06 77.01 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.141 -0.688 . . . . 25.0 109.141 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.52 -46.11 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -58.71 -50.77 72.67 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.149 0.5 . . . . 25.0 110.716 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.415 HG11 HD12 ' A' ' 4' ' ' LEU . 90.7 t -62.64 -43.01 98.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.427 -0.806 . . . . 25.0 111.455 -178.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.405 ' HB2' ' CE2' ' B' ' 74' ' ' TYR . 83.7 t80 -62.07 -48.86 78.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.827 -0.545 . . . . 25.0 110.627 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -63.45 -28.06 69.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 25.0 111.86 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.51 97.41 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.928 0.344 . . . . 25.0 111.928 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -92.38 -16.85 25.43 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.784 0.326 . . . . 25.0 111.269 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.2 m -63.56 150.77 43.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.241 0.543 . . . . 25.0 110.725 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.93 -3.62 48.76 Favored Glycine 0 C--O 1.223 -0.587 0 C-N-CA 120.95 -0.643 . . . . 25.0 113.994 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -57.88 -42.41 84.55 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 117.637 0.719 . . . . 25.0 111.039 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -79.92 -25.15 40.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 -174.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.82 -29.78 4.34 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.186 -0.916 . . . . 25.0 115.064 -176.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -85.7 126.92 34.32 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 105.445 -2.057 . . . . 25.0 105.445 169.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.34 -30.08 68.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -170.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -105.77 18.2 22.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.997 0.427 . . . . 25.0 110.733 -174.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -127.11 157.17 40.4 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.104 -1.073 . . . . 25.0 108.104 175.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.71 130.33 34.04 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.411 ' HB2' ' HD3' ' B' ' 31' ' ' LYS . 0.4 OUTLIER -65.53 150.42 48.41 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.04 -0.355 . . . . 25.0 110.04 -178.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -66.9 -39.35 87.4 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 113.461 0.911 . . . . 25.0 113.461 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.411 ' HD3' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -65.13 -29.68 70.55 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.714 1.143 . . . . 25.0 109.677 178.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.91 -24.26 38.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.701 -0.681 . . . . 25.0 110.322 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.452 HD11 ' HD1' ' B' ' 74' ' ' TYR . 14.5 tp -65.51 -34.43 78.25 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.753 -0.592 . . . . 25.0 109.635 175.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -61.85 -32.55 72.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.291 -0.413 . . . . 25.0 110.593 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -65.48 -48.05 73.95 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.53 -46.24 87.21 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 mt -62.45 -31.86 72.64 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.641 -0.708 . . . . 25.0 112.149 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.89 -22.61 36.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.944 0.402 . . . . 25.0 111.165 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.5 m -91.12 -57.26 2.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.205 -175.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -84.21 -44.51 13.85 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.276 0.56 . . . . 25.0 111.568 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tp -88.69 11.9 16.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.989 -0.551 . . . . 25.0 111.984 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -35.58 9.1 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 174.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.76 -32.61 63.87 Favored Glycine 0 C--O 1.226 -0.386 0 C-N-CA 120.625 -0.797 . . . . 25.0 111.834 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -72.47 -28.72 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.664 -0.904 . . . . 25.0 108.745 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.08 -40.61 71.47 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -66.89 -30.73 70.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.717 0.77 . . . . 25.0 110.287 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.29 19.49 15.34 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.788 -0.642 . . . . 25.0 110.87 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -59.61 149.84 29.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.557 0.694 . . . . 25.0 110.444 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -132.51 -43.55 0.92 Allowed 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -83.76 89.11 7.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.475 0.655 . . . . 25.0 109.436 175.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -67.23 -23.43 30.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.757 -0.656 . . . . 25.0 111.168 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.3 -40.88 42.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.917 0.389 . . . . 25.0 110.053 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.15 -37.53 38.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.63 -38.3 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -80.17 -28.36 38.8 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.562 -0.745 . . . . 25.0 110.169 -176.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -59.58 -38.73 81.98 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 122.186 -0.321 . . . . 25.0 111.706 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.3 -42.78 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.802 0.81 . . . . 25.0 109.141 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.9 mmt -68.18 -46.6 70.22 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.592 -0.731 . . . . 25.0 111.75 -176.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -37.82 84.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.294 -0.412 . . . . 25.0 110.648 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -61.28 -46.08 91.83 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 109.097 -0.705 . . . . 25.0 109.097 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.412 HD12 ' C ' ' B' ' 61' ' ' LEU . 0.6 OUTLIER -76.51 -26.18 54.98 Favored 'General case' 0 C--O 1.201 -1.483 0 C-N-CA 118.614 -1.234 . . . . 25.0 108.9 -171.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.05 -20.86 66.31 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -100.66 -14.03 18.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.526 0.679 . . . . 25.0 110.513 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -112.67 15.15 20.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.454 -0.794 . . . . 25.0 110.417 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.83 -22.33 62.04 Favored Glycine 0 C--O 1.222 -0.612 0 N-CA-C 116.276 1.27 . . . . 25.0 116.276 -166.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -94.7 6.31 49.28 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 121.755 0.788 . . . . 25.0 111.18 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.17 -163.56 38.0 Favored Glycine 0 N--CA 1.409 -3.166 1 N-CA-C 102.237 -4.345 . . . . 25.0 102.237 170.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -149.39 162.32 40.33 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 114.91 -0.645 . . . . 25.0 109.315 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.93 167.44 26.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.074 -0.967 . . . . 25.0 108.938 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -117.95 -174.22 2.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.738 -1.949 . . . . 25.0 105.738 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -52.38 -48.28 65.71 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.453 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.7 tt0 -53.4 -49.15 67.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.968 0.349 . . . . 25.0 110.979 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -73.46 -41.96 62.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.512 0.673 . . . . 25.0 110.033 -173.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.452 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -56.72 -39.95 74.8 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.304 179.438 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.7 t -71.33 -37.64 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 122.392 -0.192 . . . . 25.0 110.773 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.5 -44.67 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.365 0.602 . . . . 25.0 109.888 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.63 -36.3 73.37 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.284 0.564 . . . . 25.0 110.549 -177.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.93 -43.81 99.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.009 -0.737 . . . . 25.0 109.009 174.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.46 83.61 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.963 -0.46 . . . . 25.0 111.36 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.68 98.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.29 0.566 . . . . 25.0 110.294 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -35.1 73.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.347 0.594 . . . . 25.0 109.723 177.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.1 m -60.42 -45.22 94.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.264 -0.425 . . . . 25.0 110.772 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.468 HG11 ' HB2' ' A' ' 72' ' ' GLN . 30.2 m -72.78 -26.14 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 120.943 -1.098 . . . . 25.0 112.015 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.64 78.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 122.095 0.95 . . . . 25.0 109.614 174.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -98.18 -15.42 19.9 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.859 -1.151 . . . . 25.0 111.402 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -44.42 -21.07 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.403 1.631 . . . . 25.0 115.403 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -42.23 -15.95 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 170.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -53.02 -27.01 17.48 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 120.855 -1.153 . . . . 25.0 112.965 172.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -95.25 10.48 35.92 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.833 0.679 . . . . 25.0 112.833 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -112.94 103.42 11.39 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.223 1.011 . . . . 25.0 109.626 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.13 88.91 5.97 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.064 -0.971 . . . . 25.0 110.969 -175.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.391 -0.814 . . . . 25.0 109.684 174.795 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.813 0 CA-C-O 119.054 -0.859 . . . . 25.0 111.662 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -66.06 177.44 1.38 Allowed 'General case' 0 C--O 1.239 0.532 0 CA-C-N 117.439 0.62 . . . . 25.0 110.548 175.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -61.37 -44.46 97.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.953 0.406 . . . . 25.0 111.001 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.406 HD22 HD13 ' B' ' 41' ' ' LEU . 1.9 tt -66.96 -41.27 87.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.884 0.849 . . . . 25.0 110.379 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -63.91 -36.8 85.12 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.571 -0.706 . . . . 25.0 111.373 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.2 p -74.61 -29.83 61.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.614 -0.435 . . . . 25.0 110.45 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.92 95.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.4 mmm -72.82 -32.12 65.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.018 0.747 . . . . 25.0 113.018 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -68.21 -29.2 67.99 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.691 -0.855 . . . . 25.0 108.691 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.2 m -62.59 -44.41 96.39 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.923 0.392 . . . . 25.0 110.69 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.24 -36.22 79.4 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.916 -0.49 . . . . 25.0 110.254 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.5 mt -65.47 -46.06 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 109.133 -0.692 . . . . 25.0 109.133 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -58.31 -45.77 87.41 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.271 0.557 . . . . 25.0 111.528 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.525 HG11 HD12 ' B' ' 4' ' ' LEU . 86.1 t -65.69 -41.76 91.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.816 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -61.51 -43.97 97.91 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.783 -0.573 . . . . 25.0 109.904 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -69.46 -19.16 63.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.62 65.75 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 111.932 0.345 . . . . 25.0 111.932 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -116.43 -12.51 11.04 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.8 p -67.87 162.73 23.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.449 0.642 . . . . 25.0 112.167 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.04 -8.45 42.17 Favored Glycine 0 CA--C 1.51 -0.277 0 C-N-CA 121.237 -0.506 . . . . 25.0 112.591 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -63.57 -28.54 70.0 Favored 'General case' 0 C--O 1.219 -0.547 0 O-C-N 122.593 -0.357 . . . . 25.0 111.312 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -109.86 41.97 1.6 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 116.002 1.853 . . . . 25.0 116.002 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.82 -31.06 5.76 Favored Glycine 0 C--N 1.309 -0.926 0 N-CA-C 117.667 1.827 . . . . 25.0 117.667 171.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -123.68 144.61 49.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 118.206 1.003 . . . . 25.0 112.363 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.595 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -56.88 -30.92 64.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.337 -1.301 . . . . 25.0 114.181 -175.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -105.55 15.27 27.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.662 0.268 . . . . 25.0 110.903 -174.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -125.02 149.15 48.05 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.148 0.499 . . . . 25.0 110.167 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.7 tp -140.89 135.67 31.54 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 107.176 -1.416 . . . . 25.0 107.176 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.445 ' HB2' ' HD3' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -66.34 152.7 44.45 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.977 -0.289 . . . . 25.0 110.943 178.262 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -64.34 -43.08 95.74 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.193 0.812 . . . . 25.0 113.193 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HD3' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -64.74 -31.65 72.97 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.105 0.866 . . . . 25.0 110.079 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -76.68 -27.4 55.55 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.541 -0.754 . . . . 25.0 109.769 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.444 HD22 HG21 ' A' ' 69' ' ' VAL . 14.2 tp -67.38 -32.95 74.21 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.82 -0.55 . . . . 25.0 110.375 176.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.584 ' HB2' HD11 ' A' ' 61' ' ' LEU . 32.1 ttpt -58.54 -33.91 70.41 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 120.656 -0.418 . . . . 25.0 110.561 177.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.03 -48.43 76.36 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt -59.44 -46.16 89.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.047 -0.723 . . . . 25.0 109.047 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.98 -31.89 73.11 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 121.175 0.512 . . . . 25.0 111.736 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -81.98 -22.18 36.72 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 122.038 -0.414 . . . . 25.0 111.372 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.7 m -97.11 -59.54 1.77 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.826 -0.625 . . . . 25.0 112.313 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -84.57 -28.96 26.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.538 0.57 . . . . 25.0 112.538 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.415 HD13 HD22 ' B' ' 4' ' ' LEU . 13.8 tp -98.55 7.23 46.41 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 177.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -42.88 -41.67 3.39 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 116.173 1.916 . . . . 25.0 116.173 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.58 -30.19 76.02 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 119.915 -1.136 . . . . 25.0 112.786 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -76.83 -23.48 52.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.604 -0.939 . . . . 25.0 109.955 176.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.04 -35.48 49.65 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -67.12 -30.79 70.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.724 0.773 . . . . 25.0 109.78 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.97 21.42 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.551 -0.75 . . . . 25.0 111.282 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -60.31 151.54 27.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.964 0.411 . . . . 25.0 110.606 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -132.45 -53.95 0.95 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.116 0.484 . . . . 25.0 110.598 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -80.04 84.05 5.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.431 ' HA ' HG12 ' A' ' 54' ' ' VAL . 30.2 m -63.52 -29.95 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.29 -0.414 . . . . 25.0 111.766 -175.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.56 -36.83 83.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.257 0.551 . . . . 25.0 109.651 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.21 -37.63 25.75 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 51' ' ' VAL . 5.8 p -68.44 -39.9 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 -175.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -80.09 -26.47 39.54 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.14 0.495 . . . . 25.0 110.174 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -55.09 -47.26 75.17 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.381 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.14 -39.92 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.66 -50.76 56.22 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 115.839 -0.619 . . . . 25.0 111.97 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -37.29 85.27 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.627 -0.429 . . . . 25.0 110.706 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.61 -40.93 98.51 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.237 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.69 -24.03 45.29 Favored 'General case' 0 C--O 1.205 -1.254 0 C-N-CA 119.21 -0.996 . . . . 25.0 110.552 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.43 -26.12 68.33 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.111 -0.368 . . . . 25.0 111.625 -177.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -100.04 -24.87 14.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.53 0.681 . . . . 25.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -96.92 15.8 21.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.817 -0.628 . . . . 25.0 110.016 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.04 -20.88 69.3 Favored Glycine 0 C--O 1.218 -0.872 0 N-CA-C 115.915 1.126 . . . . 25.0 115.915 -167.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.0 7.68 36.35 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 122.037 0.922 . . . . 25.0 110.428 -172.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.75 -159.26 35.27 Favored Glycine 0 N--CA 1.417 -2.584 0 N-CA-C 104.215 -3.554 . . . . 25.0 104.215 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -151.54 166.38 31.35 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 122.132 -0.628 . . . . 25.0 110.509 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.444 HG21 HD22 ' A' ' 33' ' ' LEU . 3.2 m -138.34 171.48 15.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.963 -1.017 . . . . 25.0 110.355 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -126.2 -174.08 3.02 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.934 -2.247 . . . . 25.0 104.934 174.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -52.86 -47.7 67.6 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.446 0.906 . . . . 25.0 113.446 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.537 ' HB2' HG11 ' B' ' 83' ' ' VAL . 62.3 tt0 -54.56 -47.86 72.74 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.497 0.589 . . . . 25.0 110.917 -177.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -71.41 -41.08 70.0 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.785 0.802 . . . . 25.0 109.445 -173.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -39.88 86.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.265 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.6 t -71.39 -36.73 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 122.275 -0.266 . . . . 25.0 110.527 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.9 t -59.38 -43.98 91.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -70.06 -37.24 75.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.887 0.375 . . . . 25.0 111.236 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.9 t -62.7 -42.88 97.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.12 81.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.051 -0.406 . . . . 25.0 110.706 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.5 94.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.454 0.645 . . . . 25.0 110.099 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.18 -35.92 71.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.382 0.61 . . . . 25.0 109.968 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.4 m -60.85 -46.98 88.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.975 -0.453 . . . . 25.0 109.923 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.495 HG11 ' HB2' ' B' ' 72' ' ' GLN . 35.2 m -67.07 -19.03 25.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 114.011 1.115 . . . . 25.0 114.011 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.01 0.75 1.12 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 122.026 0.917 . . . . 25.0 111.801 168.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -71.02 -30.12 66.24 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 115.981 1.845 . . . . 25.0 115.981 -174.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -70.62 -27.13 63.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.03 -13.97 62.76 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 113.061 0.763 . . . . 25.0 113.061 174.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.432 ' HB3' ' CE2' ' B' ' 26' ' ' TYR . 23.3 m-30 -65.45 -1.16 2.31 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 121.116 -0.99 . . . . 25.0 113.061 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -98.49 14.55 27.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.836 -0.801 . . . . 25.0 108.836 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -153.33 173.66 15.32 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 101.941 -3.355 . . . . 25.0 101.941 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.79 96.38 3.65 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 121.857 -0.527 . . . . 25.0 110.027 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.451 -0.785 . . . . 25.0 112.257 177.692 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 CA-C-O 119.149 -0.806 . . . . 25.0 111.578 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -71.27 177.0 4.11 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 117.625 0.712 . . . . 25.0 109.973 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.02 -29.87 70.81 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 120.423 -0.511 . . . . 25.0 109.763 175.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.525 HD12 HG11 ' A' ' 14' ' ' VAL . 1.5 tt -67.45 -43.76 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.615 0.722 . . . . 25.0 109.899 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.19 -41.06 97.26 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.451 -0.781 . . . . 25.0 110.314 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 35.4 p -72.71 -28.86 62.92 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.614 -0.434 . . . . 25.0 110.32 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.57 89.44 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 174.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.5 mmm -71.83 -30.22 65.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.3 -29.05 66.82 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.801 -0.814 . . . . 25.0 108.801 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -64.47 -42.72 95.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.343 -0.389 . . . . 25.0 110.196 173.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.77 -34.52 74.6 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -67.67 -44.74 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -60.34 -49.03 79.21 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.262 0.553 . . . . 25.0 110.442 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 74.4 t -63.13 -43.32 98.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.42 -0.809 . . . . 25.0 111.205 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.52 -42.86 88.65 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 121.739 -0.6 . . . . 25.0 109.415 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -70.66 -14.16 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.04 77.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.77 -0.372 . . . . 25.0 110.478 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -107.26 -16.17 14.47 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.8 p -59.42 154.23 17.45 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.678 0.622 . . . . 25.0 112.678 -176.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.63 11.42 58.09 Favored Glycine 0 C--O 1.228 -0.272 0 N-CA-C 114.978 0.751 . . . . 25.0 114.978 176.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -66.73 -33.87 76.59 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.491 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 1.5 pm0 -88.16 -10.48 49.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.819 -1.082 . . . . 25.0 111.875 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.7 -2.49 30.54 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 117.479 1.752 . . . . 25.0 117.479 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -96.29 162.94 13.29 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 119.296 1.548 . . . . 25.0 111.014 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -27.69 35.07 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.517 -0.739 . . . . 25.0 112.181 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 89' ' ' PHE . 13.3 m-85 -121.09 11.9 11.01 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 114.339 1.237 . . . . 25.0 114.339 -171.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -123.65 162.97 21.98 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.371 0.532 . . . . 25.0 111.89 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.7 tp -146.81 132.11 18.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -63.51 147.15 52.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.084 0.402 . . . . 25.0 110.322 177.711 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -62.11 -43.33 99.06 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.715 1.005 . . . . 25.0 113.715 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -29.41 70.42 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.643 0.656 . . . . 25.0 110.242 -178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -78.01 -24.94 47.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.418 -0.81 . . . . 25.0 109.96 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.521 HD11 ' HD1' ' B' ' 74' ' ' TYR . 35.1 tp -71.05 -26.15 62.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.738 -0.601 . . . . 25.0 110.595 175.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.493 ' HB2' HD11 ' B' ' 61' ' ' LEU . 34.9 ttpt -63.18 -33.54 75.71 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 119.839 -0.744 . . . . 25.0 109.633 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.64 -45.13 95.25 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.77 -43.88 95.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.909 -0.587 . . . . 25.0 110.157 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mp -65.19 -27.38 68.66 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.68 0.752 . . . . 25.0 111.555 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.89 -21.49 37.4 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 123.551 0.74 . . . . 25.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 32.8 m -105.77 -60.72 1.6 Allowed 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.43 -20.7 31.39 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.909 0.861 . . . . 25.0 112.327 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.406 HD13 HD22 ' A' ' 4' ' ' LEU . 11.9 tp -110.06 10.26 24.08 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.671 -1.15 . . . . 25.0 109.682 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.69 -37.06 58.32 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.149 1.537 . . . . 25.0 115.149 177.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.69 -30.36 70.73 Favored Glycine 0 C--O 1.221 -0.673 0 O-C-N 121.461 -0.774 . . . . 25.0 111.424 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -79.18 -27.94 42.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.805 -0.821 . . . . 25.0 108.891 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 20.9 tp -68.53 -41.35 80.03 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 121.305 0.574 . . . . 25.0 109.467 177.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.61 -30.86 70.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.691 0.757 . . . . 25.0 110.914 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.12 30.49 2.44 Favored 'General case' 0 C--O 1.246 0.87 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.94 151.35 47.25 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.813 -1.18 . . . . 25.0 107.813 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -133.11 -52.18 0.9 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.158 -1.423 . . . . 25.0 107.158 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -82.02 91.94 6.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.749 -1.114 . . . . 25.0 109.789 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 31.2 m -66.43 -24.15 32.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.898 -0.592 . . . . 25.0 111.637 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -76.71 -40.65 48.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.106 0.479 . . . . 25.0 110.221 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.84 -38.61 37.53 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.36 -37.56 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.35 -27.32 38.32 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.79 -0.641 . . . . 25.0 110.662 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -58.8 -37.19 75.79 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 121.033 -0.267 . . . . 25.0 111.246 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.04 -43.73 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.89 0.853 . . . . 25.0 109.441 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.7 mmt -70.63 -45.87 64.4 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.844 -175.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -34.95 79.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.491 -0.189 . . . . 25.0 110.491 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -59.89 -48.36 82.01 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -80.35 -18.48 48.95 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 119.232 -0.987 . . . . 25.0 111.297 -174.332 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.43 -29.99 68.16 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.998 0.428 . . . . 25.0 111.271 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -107.03 -22.65 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.362 0.601 . . . . 25.0 111.788 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -97.28 9.98 40.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.789 0.804 . . . . 25.0 110.968 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.37 -21.73 60.28 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 116.877 1.511 . . . . 25.0 116.877 -169.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -91.32 2.61 56.26 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.637 0.732 . . . . 25.0 110.847 -170.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.59 -159.84 35.48 Favored Glycine 0 N--CA 1.421 -2.348 0 N-CA-C 104.591 -3.404 . . . . 25.0 104.591 173.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 12.5 pt-20 -150.08 158.15 43.86 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 -176.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -135.93 167.96 23.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.495 -0.775 . . . . 25.0 109.609 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -117.97 -174.09 2.57 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.062 -1.459 . . . . 25.0 107.062 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -52.3 -48.04 65.57 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 113.585 0.957 . . . . 25.0 113.585 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.495 ' HB2' HG11 ' A' ' 83' ' ' VAL . 62.5 tt0 -55.82 -47.53 77.04 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.523 0.601 . . . . 25.0 110.892 -177.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -72.32 -38.42 68.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.028 0.918 . . . . 25.0 109.946 -173.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.521 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -60.73 -41.09 94.64 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.365 -0.834 . . . . 25.0 109.76 178.609 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 73.7 t -71.33 -35.44 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 122.359 -0.213 . . . . 25.0 110.584 -178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 72' ' ' GLN . 62.0 t -58.25 -45.82 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 109.376 -0.602 . . . . 25.0 109.376 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.4 mt -69.86 -36.48 75.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.087 0.47 . . . . 25.0 111.092 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 t -63.68 -44.75 98.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.876 -0.416 . . . . 25.0 109.876 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.7 88.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.142 -0.349 . . . . 25.0 110.165 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.91 98.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.333 0.587 . . . . 25.0 110.659 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.6 -33.45 72.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.467 0.651 . . . . 25.0 110.114 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 48.5 m -66.83 -43.41 83.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.191 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 72' ' ' GLN . 28.4 m -69.72 -23.88 26.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 O-C-N 121.006 -1.059 . . . . 25.0 111.58 176.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.85 -5.21 8.38 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.632 -0.668 . . . . 25.0 110.798 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -72.7 -24.54 61.01 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.743 1.757 . . . . 25.0 115.743 -173.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -61.27 -21.9 64.35 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.886 0.85 . . . . 25.0 112.069 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.04 -15.27 62.03 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 113.262 0.838 . . . . 25.0 113.262 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 23.4 m-30 -68.27 -0.86 5.2 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.027 0.83 . . . . 25.0 113.05 -177.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -93.29 10.47 31.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.544 0.688 . . . . 25.0 109.453 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -151.77 171.43 17.72 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 100.626 -3.842 . . . . 25.0 100.626 174.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -90.38 78.03 6.49 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 62.8 m . . . . . 0 C--O 1.245 0.866 0 N-CA-C 113.011 0.745 . . . . 25.0 113.011 -175.707 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -0.969 0 CA-C-O 118.706 -1.052 . . . . 25.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -70.69 167.64 18.26 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.194 -1.41 . . . . 25.0 107.194 172.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.91 -38.1 81.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.316 0.579 . . . . 25.0 110.783 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.436 HD12 HG11 ' B' ' 14' ' ' VAL . 2.1 tt -64.54 -40.67 96.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.755 0.788 . . . . 25.0 110.599 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -66.36 -38.04 86.66 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.335 -0.853 . . . . 25.0 111.525 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 p -72.16 -30.21 64.77 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.697 -0.401 . . . . 25.0 109.952 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.47 96.69 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.5 mmm -71.45 -31.04 66.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -69.17 -28.35 66.34 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 119.971 -0.692 . . . . 25.0 109.981 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -61.35 -44.03 97.87 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 122.05 -0.406 . . . . 25.0 110.079 172.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.66 -36.17 82.95 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.562 -0.532 . . . . 25.0 109.562 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.41 -48.76 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -57.29 -51.9 67.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.458 0.17 . . . . 25.0 110.771 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.06 -34.09 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-N 115.915 -0.584 . . . . 25.0 112.438 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.52 -49.25 78.5 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.402 -0.811 . . . . 25.0 109.797 172.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -72.85 -14.13 61.43 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -176.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.21 -48.01 69.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.847 -0.427 . . . . 25.0 109.847 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -83.78 -20.33 33.49 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.541 -0.299 . . . . 25.0 111.198 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.3 m -61.86 150.4 37.51 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-O 122.301 1.048 . . . . 25.0 109.03 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.53 2.12 58.85 Favored Glycine 0 N--CA 1.488 2.116 0 CA-C-O 117.391 -1.783 . . . . 25.0 115.373 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -58.29 -36.13 72.85 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.714 1.257 . . . . 25.0 109.915 174.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -95.78 -17.96 20.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 114.437 1.273 . . . . 25.0 114.437 -173.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.65 -30.95 4.09 Favored Glycine 0 C--O 1.227 -0.291 0 N-CA-C 115.091 0.797 . . . . 25.0 115.091 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -89.33 128.63 35.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.593 -1.632 . . . . 25.0 106.593 173.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -93.21 -14.37 27.19 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 -171.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -104.94 5.75 33.04 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 107.103 -1.443 . . . . 25.0 107.103 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -125.87 154.88 42.08 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.11 136.15 51.72 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 104.585 -2.376 . . . . 25.0 104.585 172.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.66 151.98 45.25 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 119.469 -0.892 . . . . 25.0 109.494 176.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -63.3 -40.25 96.83 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 118.562 0.619 . . . . 25.0 112.594 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -29.32 69.84 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.631 1.105 . . . . 25.0 110.707 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -80.27 -25.1 39.64 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.798 -0.637 . . . . 25.0 110.169 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.421 HD11 ' HD1' ' A' ' 74' ' ' TYR . 18.6 tp -63.61 -35.06 79.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.173 0.511 . . . . 25.0 110.109 176.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB2' HD11 ' A' ' 61' ' ' LEU . 35.1 ttpt -58.91 -36.14 74.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.903 -0.589 . . . . 25.0 110.549 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.31 -46.62 82.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.06 -46.41 89.64 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -62.45 -32.04 72.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.368 0.604 . . . . 25.0 111.132 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -81.73 -19.62 41.03 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 122.862 0.465 . . . . 25.0 111.869 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.7 m -102.15 -52.3 3.18 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.895 0.702 . . . . 25.0 112.895 -176.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -97.26 -16.63 20.25 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 -172.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.43 HD13 HD22 ' B' ' 4' ' ' LEU . 14.8 tp -115.73 11.0 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.137 -1.061 . . . . 25.0 108.137 176.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.87 -38.41 22.39 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.666 1.728 . . . . 25.0 115.666 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.34 -29.53 68.2 Favored Glycine 0 C--O 1.226 -0.37 0 O-C-N 121.682 -0.636 . . . . 25.0 112.182 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -77.34 -29.4 53.44 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.27 -1.011 . . . . 25.0 108.27 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -40.33 77.27 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.33 -30.55 70.97 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.677 0.751 . . . . 25.0 111.049 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.45 24.77 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.382 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -62.86 151.62 38.59 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.424 0.631 . . . . 25.0 110.974 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -124.15 -48.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -86.99 87.07 7.37 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.103 -0.702 . . . . 25.0 109.103 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.4 ' HA ' HG12 ' A' ' 54' ' ' VAL . 35.7 m -63.54 -29.91 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.648 -0.706 . . . . 25.0 110.728 -177.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.13 -39.11 82.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.264 0.554 . . . . 25.0 109.982 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.96 -41.52 25.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.427 0.528 . . . . 25.0 112.427 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' A' ' 51' ' ' VAL . 8.7 p -64.79 -39.79 86.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.874 -0.788 . . . . 25.0 108.874 -176.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -80.33 -28.25 38.19 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.158 -0.473 . . . . 25.0 111.207 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -58.3 -40.55 82.28 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.557 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.83 -42.55 86.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.2 mmt -67.08 -49.28 65.57 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 116.229 -0.442 . . . . 25.0 112.103 -176.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -36.39 81.38 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.576 -0.449 . . . . 25.0 110.524 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.93 -40.97 97.68 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.456 -0.498 . . . . 25.0 110.248 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -77.3 -24.61 50.92 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 119.069 -1.052 . . . . 25.0 109.891 -179.22 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.18 -26.62 67.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.951 0.405 . . . . 25.0 111.92 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -104.07 -11.27 17.45 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.406 0.622 . . . . 25.0 110.973 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -111.83 15.55 20.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.717 -0.674 . . . . 25.0 110.128 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.56 -20.84 64.15 Favored Glycine 0 C--O 1.223 -0.586 0 N-CA-C 116.44 1.336 . . . . 25.0 116.44 -168.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -92.84 9.06 36.89 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.884 0.849 . . . . 25.0 110.783 -173.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.82 -165.75 34.42 Favored Glycine 0 N--CA 1.414 -2.767 1 N-CA-C 102.707 -4.157 . . . . 25.0 102.707 170.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -143.79 168.18 20.54 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 122.465 -0.432 . . . . 25.0 109.946 -175.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.41 162.2 33.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -113.43 -174.26 2.43 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.636 -1.616 . . . . 25.0 106.636 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -53.72 -46.8 70.93 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.495 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.4 tt0 -56.71 -47.68 79.39 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.633 0.651 . . . . 25.0 111.048 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.03 -43.36 74.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.353 1.073 . . . . 25.0 109.193 -173.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.421 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -58.8 -41.72 87.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.773 -1.103 . . . . 25.0 109.86 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 73.8 t -71.34 -36.66 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 122.189 -0.319 . . . . 25.0 111.087 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.1 t -56.75 -44.76 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 109.063 -0.717 . . . . 25.0 109.063 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.8 mt -72.89 -35.72 67.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.087 -0.506 . . . . 25.0 111.664 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.89 -43.68 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.152 -0.685 . . . . 25.0 109.152 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.98 84.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.118 -0.363 . . . . 25.0 110.634 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.47 -43.7 96.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.17 0.51 . . . . 25.0 110.449 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.63 -36.28 80.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.359 0.599 . . . . 25.0 109.561 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 79.2 m -61.43 -45.15 95.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.117 -0.492 . . . . 25.0 111.207 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.4 m -72.92 -28.27 26.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 O-C-N 120.861 -1.15 . . . . 25.0 111.575 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.52 -18.07 64.9 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 121.25 0.548 . . . . 25.0 110.907 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -107.59 -15.56 14.56 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.923 -1.11 . . . . 25.0 113.305 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -48.43 -20.95 0.47 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.536 1.68 . . . . 25.0 115.536 -177.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -54.36 -15.67 1.77 Allowed 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.296 1.221 . . . . 25.0 114.296 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -65.93 -16.46 63.88 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.399 -0.813 . . . . 25.0 111.348 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -105.41 17.82 23.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.071 0.462 . . . . 25.0 110.626 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -123.17 114.26 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.532 0.682 . . . . 25.0 109.647 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.78 89.28 7.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 25.0 110.292 -178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.288 -0.863 . . . . 25.0 110.254 175.732 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.002 0 CA-C-O 118.982 -0.899 . . . . 25.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -76.32 166.16 23.84 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.388 -0.967 . . . . 25.0 108.388 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.07 -33.87 76.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.354 0.597 . . . . 25.0 109.67 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.43 HD22 HD13 ' A' ' 41' ' ' LEU . 4.2 tt -63.66 -41.71 98.16 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.772 0.796 . . . . 25.0 110.561 176.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.44 -38.2 84.16 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.449 -0.782 . . . . 25.0 110.785 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 5.6 p -72.99 -25.78 61.11 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.629 -0.428 . . . . 25.0 110.595 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.84 96.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.0 mmm -70.6 -31.44 68.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.263 0.468 . . . . 25.0 112.263 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.27 -26.9 64.04 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.4 -0.813 . . . . 25.0 109.805 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 34.0 m -63.11 -43.88 97.22 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.11 -37.5 85.32 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.13 -47.3 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -58.74 -48.06 82.5 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 121.176 -0.21 . . . . 25.0 110.952 -177.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.436 HG11 HD12 ' A' ' 4' ' ' LEU . 79.0 t -62.28 -46.45 96.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.932 0.396 . . . . 25.0 110.475 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -61.95 -47.83 83.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.434 0.635 . . . . 25.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -65.93 -26.84 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 25.0 112.478 -175.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.54 94.41 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.812 0.339 . . . . 25.0 111.208 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -88.38 -20.92 24.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.728 -0.214 . . . . 25.0 111.358 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -62.1 157.89 17.98 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.24 1.2 . . . . 25.0 114.24 -175.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.75 0.72 42.66 Favored Glycine 0 C--O 1.226 -0.349 0 CA-C-N 115.181 -0.918 . . . . 25.0 113.419 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -65.84 -44.99 83.89 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 112.373 0.509 . . . . 25.0 112.373 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -95.87 41.89 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 115.608 1.707 . . . . 25.0 115.608 -173.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.4 -30.95 2.99 Favored Glycine 0 C--N 1.31 -0.91 0 N-CA-C 115.606 1.003 . . . . 25.0 115.606 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -99.23 125.56 44.86 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -33.98 76.83 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 114.232 1.197 . . . . 25.0 114.232 -174.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -98.2 10.6 40.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 118.615 0.643 . . . . 25.0 111.278 -172.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -115.61 160.04 20.52 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-O 122.27 1.033 . . . . 25.0 108.34 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.88 133.43 35.77 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 113.22 -1.809 . . . . 25.0 106.489 174.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.74 153.03 44.31 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.614 -0.679 . . . . 25.0 110.69 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -64.44 -41.54 96.49 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -32.07 73.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.948 1.249 . . . . 25.0 110.458 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -72.86 -29.39 63.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.318 -0.855 . . . . 25.0 109.717 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.476 HD22 HG21 ' B' ' 69' ' ' VAL . 14.9 tp -64.97 -30.49 71.48 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.858 -0.61 . . . . 25.0 111.559 178.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.535 ' HB2' HD11 ' B' ' 61' ' ' LEU . 34.1 ttpt -62.83 -37.11 85.49 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 120.436 -0.506 . . . . 25.0 110.038 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.58 -45.13 88.35 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.672 . . . . 25.0 109.184 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.86 -46.67 88.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.02 -0.536 . . . . 25.0 109.955 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 64.5 mt -64.39 -29.08 70.15 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.417 0.627 . . . . 25.0 111.815 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -81.81 -17.74 46.46 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 123.472 0.709 . . . . 25.0 110.981 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -102.4 -59.19 1.74 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.737 -0.665 . . . . 25.0 112.363 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -86.03 -20.49 28.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.904 0.705 . . . . 25.0 112.904 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.451 ' HG ' ' HB2' ' B' ' 44' ' ' PHE . 8.5 tp -113.4 14.36 19.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.826 0.822 . . . . 25.0 109.211 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -49.93 -40.28 42.91 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 116.362 1.986 . . . . 25.0 116.362 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.42 -31.19 61.32 Favored Glycine 0 C--O 1.228 -0.244 0 O-C-N 121.155 -0.966 . . . . 25.0 111.247 -178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.451 ' HB2' ' HG ' ' B' ' 41' ' ' LEU . 4.7 m-30 -70.1 -25.95 63.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.884 -0.774 . . . . 25.0 109.072 175.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.66 -39.75 36.02 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 122.558 0.343 . . . . 25.0 110.534 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.19 -32.2 73.76 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.944 0.878 . . . . 25.0 110.881 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.92 19.85 12.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.767 -0.651 . . . . 25.0 111.216 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -58.79 153.51 16.78 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 120.948 0.404 . . . . 25.0 111.584 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -130.13 -50.83 1.11 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -81.61 88.47 6.22 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.35 -27.99 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.999 0.428 . . . . 25.0 110.913 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.09 -40.03 71.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.393 0.616 . . . . 25.0 109.931 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.75 -37.28 49.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.244 -0.435 . . . . 25.0 111.735 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 p -65.96 -38.41 82.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.536 -0.913 . . . . 25.0 108.536 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -80.46 -27.38 37.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.009 -0.541 . . . . 25.0 111.073 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -35.29 68.72 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 175.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -76.8 -43.83 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.275 0.56 . . . . 25.0 110.041 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.8 mmt -68.63 -50.81 48.46 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.27 -35.68 81.62 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.59 -0.444 . . . . 25.0 110.356 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -62.44 -43.5 98.67 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.583 -0.447 . . . . 25.0 110.469 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -76.9 -23.17 52.56 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 119.51 -0.876 . . . . 25.0 109.648 -178.15 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -63.93 -25.46 68.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.979 0.419 . . . . 25.0 110.966 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -101.66 -20.37 15.04 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.477 0.656 . . . . 25.0 110.826 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -103.73 14.34 31.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.899 -0.592 . . . . 25.0 110.652 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.42 -22.31 63.33 Favored Glycine 0 C--O 1.224 -0.491 0 N-CA-C 115.984 1.154 . . . . 25.0 115.984 -169.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -89.32 4.53 48.55 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.768 0.794 . . . . 25.0 110.166 -174.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.64 -160.87 36.61 Favored Glycine 0 N--CA 1.42 -2.369 0 N-CA-C 104.553 -3.419 . . . . 25.0 104.553 171.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -147.8 171.14 16.17 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 122.303 -0.528 . . . . 25.0 109.779 -177.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.476 HG21 HD22 ' B' ' 33' ' ' LEU . 2.4 m -138.8 165.06 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 177.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.96 -174.13 2.7 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 104.349 -2.463 . . . . 25.0 104.349 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -52.99 -47.28 68.35 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.183 0.808 . . . . 25.0 113.183 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.423 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.7 tt0 -55.03 -48.78 72.94 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.103 0.411 . . . . 25.0 111.176 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -69.33 -43.62 73.35 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.96 0.886 . . . . 25.0 109.844 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -39.77 86.14 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.128 -0.942 . . . . 25.0 110.124 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.61 -37.29 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 122.132 -0.355 . . . . 25.0 110.746 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.43 -43.61 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 121.082 0.468 . . . . 25.0 109.758 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 38.1 mt -70.29 -36.96 74.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.013 0.435 . . . . 25.0 111.179 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.09 -43.49 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.77 82.19 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.954 -0.466 . . . . 25.0 111.151 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.52 98.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.623 0.725 . . . . 25.0 110.103 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -33.48 72.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.465 0.65 . . . . 25.0 109.827 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.1 m -64.32 -44.88 90.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.215 -0.448 . . . . 25.0 110.894 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.476 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.3 m -71.23 -23.74 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.216 -0.927 . . . . 25.0 112.509 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.7 0.59 2.25 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 121.736 0.779 . . . . 25.0 111.282 172.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -66.79 -16.32 64.19 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.131 1.16 . . . . 25.0 114.131 -173.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -57.13 -21.24 30.93 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -56.88 -16.37 6.63 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.157 1.169 . . . . 25.0 114.157 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -66.82 -18.09 65.2 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.311 0.486 . . . . 25.0 112.311 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -101.49 23.32 11.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.15 0.5 . . . . 25.0 111.899 -175.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -136.1 146.85 47.45 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 103.254 -2.869 . . . . 25.0 103.254 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.48 78.22 6.02 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.671 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.408 -0.806 . . . . 25.0 110.12 176.219 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.126 0 N-CA-C 111.668 -0.573 . . . . 25.0 111.668 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -73.64 176.78 5.9 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 172.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.79 -42.41 99.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.0 0.429 . . . . 25.0 110.6 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.436 HD22 HD13 ' B' ' 41' ' ' LEU . 3.4 tt -64.45 -41.84 96.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.839 0.828 . . . . 25.0 109.779 177.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.84 -36.4 82.24 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.345 -0.847 . . . . 25.0 112.014 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 p -71.76 -27.04 62.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.177 -0.609 . . . . 25.0 109.627 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.19 85.87 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 174.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.9 mmm -71.26 -32.23 68.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.224 0.824 . . . . 25.0 113.224 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -70.21 -25.3 63.34 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.0 m -66.51 -43.05 86.37 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 122.05 -0.406 . . . . 25.0 110.413 171.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.49 -35.72 76.61 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.62 -49.44 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -57.26 -50.18 73.7 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.208 0.527 . . . . 25.0 110.999 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.55 -0.75 . . . . 25.0 112.184 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.41 -48.54 80.74 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.737 -0.602 . . . . 25.0 110.546 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -71.75 -14.22 61.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.83 62.33 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 122.114 -0.366 . . . . 25.0 110.286 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -83.25 -19.32 36.6 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.4 ' HA ' HD13 ' A' ' 28' ' ' LEU . 61.7 m -61.34 163.49 6.51 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.415 0.447 . . . . 25.0 111.705 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.46 16.15 53.5 Favored Glycine 0 C--O 1.229 -0.214 0 C-N-CA 120.383 -0.913 . . . . 25.0 114.672 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -69.51 -31.53 69.83 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.06 -3.6 47.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.241 -1.345 . . . . 25.0 111.743 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.93 -30.94 9.37 Favored Glycine 0 N--CA 1.469 0.855 0 CA-C-N 116.18 -0.464 . . . . 25.0 113.943 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -83.42 121.08 26.69 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 106.051 -1.833 . . . . 25.0 106.051 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -88.5 -8.15 55.33 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 113.429 0.9 . . . . 25.0 113.429 -168.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -105.7 10.26 32.86 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 107.889 -1.152 . . . . 25.0 107.889 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -135.61 158.59 43.99 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.628 -0.714 . . . . 25.0 109.527 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 19' ' ' SER . 25.5 tp -147.71 137.19 22.51 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.098 0.249 . . . . 25.0 110.563 178.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.78 148.49 50.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.993 -0.442 . . . . 25.0 110.353 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -59.01 -43.08 91.48 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 114.282 1.215 . . . . 25.0 114.282 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -30.51 70.65 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.393 0.997 . . . . 25.0 110.282 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -77.78 -23.56 49.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.385 -0.825 . . . . 25.0 109.419 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.516 HD22 HG21 ' A' ' 69' ' ' VAL . 20.8 tp -70.95 -35.54 72.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.2 -0.454 . . . . 25.0 110.556 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.467 ' HB2' HD11 ' A' ' 61' ' ' LEU . 32.9 ttpt -58.21 -34.51 70.48 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 120.886 -0.326 . . . . 25.0 110.455 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -60.34 -49.03 79.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.41 -46.99 85.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.506 0.67 . . . . 25.0 109.301 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.84 -31.88 73.21 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.783 -0.644 . . . . 25.0 111.889 -178.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -81.81 -22.4 37.12 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 123.066 0.546 . . . . 25.0 110.929 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.2 m -89.75 -56.53 3.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.898 -0.592 . . . . 25.0 110.81 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -84.63 -42.05 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.096 0.406 . . . . 25.0 112.096 -176.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.84 13.13 21.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.163 0.506 . . . . 25.0 111.817 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.35 -35.21 5.2 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.915 1.45 . . . . 25.0 114.915 172.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.28 -35.11 57.09 Favored Glycine 0 C--O 1.228 -0.23 0 C-N-CA 120.588 -0.815 . . . . 25.0 112.268 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -71.33 -30.08 65.77 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.34 -42.27 75.54 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.275 -0.42 . . . . 25.0 110.199 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.46 -30.55 70.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.627 0.727 . . . . 25.0 111.128 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.05 28.67 6.54 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.799 -0.637 . . . . 25.0 111.071 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.52 152.67 37.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.118 0.485 . . . . 25.0 110.079 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -126.99 -50.5 1.45 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.91 88.59 5.3 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.09 -25.47 35.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.987 -0.551 . . . . 25.0 110.042 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.79 -40.76 69.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.12 -36.15 48.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.354 0.502 . . . . 25.0 112.354 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.16 -39.69 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 107.818 -1.179 . . . . 25.0 107.818 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -80.32 -28.81 38.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.521 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -33.86 65.64 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 177.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.0 t -82.74 -45.56 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.411 -0.516 . . . . 25.0 110.421 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.6 mmt -66.83 -50.24 63.21 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 112.94 0.718 . . . . 25.0 112.94 -174.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -36.64 84.78 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.849 -0.34 . . . . 25.0 110.3 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.49 -42.09 96.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.614 -0.266 . . . . 25.0 110.721 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.04 -25.78 48.0 Favored 'General case' 0 C--O 1.201 -1.481 0 C-N-CA 119.161 -1.016 . . . . 25.0 109.587 -176.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.02 -21.89 66.91 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.623 0.601 . . . . 25.0 112.623 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -96.57 -26.77 15.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.725 0.774 . . . . 25.0 109.8 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -98.85 15.13 26.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.343 -0.844 . . . . 25.0 110.908 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.29 -21.13 66.02 Favored Glycine 0 C--O 1.217 -0.945 0 N-CA-C 116.201 1.241 . . . . 25.0 116.201 -166.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -89.64 5.29 46.4 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.742 0.782 . . . . 25.0 110.714 -173.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.11 -156.26 30.33 Favored Glycine 0 N--CA 1.416 -2.636 0 N-CA-C 104.783 -3.327 . . . . 25.0 104.783 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.81 167.34 29.98 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 122.279 -0.542 . . . . 25.0 110.184 -173.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.516 HG21 HD22 ' A' ' 33' ' ' LEU . 3.6 m -140.74 170.4 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.885 -1.052 . . . . 25.0 109.532 -179.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -124.38 -174.15 2.94 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.512 -1.662 . . . . 25.0 106.512 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -52.13 -48.91 64.62 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.539 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.4 tt0 -54.95 -47.43 74.51 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.705 0.684 . . . . 25.0 110.778 -177.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -46.41 72.51 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 122.223 1.011 . . . . 25.0 108.855 -174.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -39.45 80.86 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.878 -1.055 . . . . 25.0 111.364 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.1 t -71.39 -36.98 63.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 121.182 -0.207 . . . . 25.0 110.679 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.442 HG22 HG22 ' B' ' 76' ' ' VAL . 53.3 t -61.5 -43.21 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.091 0.472 . . . . 25.0 109.84 177.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.1 mt -70.11 -36.25 74.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.102 0.477 . . . . 25.0 110.674 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.04 -44.18 99.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.0 82.47 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.024 -0.422 . . . . 25.0 111.553 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.2 99.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.348 0.594 . . . . 25.0 110.459 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -35.39 72.59 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.313 -0.555 . . . . 25.0 109.505 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.6 m -58.92 -45.44 90.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.156 -0.34 . . . . 25.0 110.902 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' B' ' 72' ' ' GLN . 30.0 m -73.84 -24.2 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 119.15 0.886 . . . . 25.0 113.068 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.5 -20.16 65.97 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -62.39 -22.56 66.24 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.522 1.129 . . . . 25.0 113.363 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -56.09 -17.13 6.22 Favored 'General case' 0 C--O 1.211 -0.948 0 N-CA-C 114.985 1.476 . . . . 25.0 114.985 173.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -42.28 -20.23 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 168.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -55.73 -29.63 59.83 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.603 0.761 . . . . 25.0 112.686 172.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -106.4 22.7 15.35 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.333 0.653 . . . . 25.0 111.558 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.74 -177.9 4.83 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 106.437 -1.69 . . . . 25.0 106.437 -175.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -90.43 77.81 6.49 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 104.514 -2.402 . . . . 25.0 104.514 166.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.7 t . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 116.394 -1.765 . . . . 25.0 110.269 172.559 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.591 0 CA-C-O 119.626 -0.541 . . . . 25.0 111.828 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.9 p -70.05 178.57 2.68 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 172.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -60.21 -43.72 95.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.275 0.559 . . . . 25.0 110.669 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 tt -67.35 -41.82 84.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.522 0.677 . . . . 25.0 109.772 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.72 -34.36 77.67 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 121.263 -0.898 . . . . 25.0 111.149 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.2 p -71.55 -28.36 63.81 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.111 -0.636 . . . . 25.0 110.309 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.03 86.74 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 174.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.7 mmm -71.42 -33.51 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.364 0.876 . . . . 25.0 113.364 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.68 -28.45 66.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 59.5 m -64.08 -44.94 90.82 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 122.155 -0.34 . . . . 25.0 110.461 171.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.97 -36.78 77.87 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.43 -46.84 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.41 -45.81 87.69 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.371 0.605 . . . . 25.0 111.002 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.43 HG11 HD12 ' A' ' 4' ' ' LEU . 78.8 t -64.88 -44.89 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 116.081 -0.508 . . . . 25.0 111.138 -178.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.42 -47.47 85.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.594 0.711 . . . . 25.0 110.205 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -63.25 -27.05 69.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.424 -0.807 . . . . 25.0 111.668 -176.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.1 75.03 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -86.18 -16.91 36.32 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 111.779 0.289 . . . . 25.0 111.779 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.0 m -60.33 156.79 14.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.163 0.506 . . . . 25.0 111.178 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.06 -7.49 37.89 Favored Glycine 0 C--O 1.223 -0.577 0 C-N-CA 120.885 -0.674 . . . . 25.0 113.151 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -63.19 -33.91 76.51 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.609 0.719 . . . . 25.0 109.405 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -72.17 -29.64 64.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.689 -1.142 . . . . 25.0 111.684 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.87 -30.83 5.56 Favored Glycine 0 C--N 1.322 -0.235 0 N-CA-C 109.57 -1.412 . . . . 25.0 109.57 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -93.04 135.72 33.95 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 171.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -87.13 -10.33 53.05 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -98.18 9.22 43.45 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -130.34 155.49 46.27 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.796 -0.638 . . . . 25.0 112.484 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -145.66 133.54 21.27 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 116.257 -0.429 . . . . 25.0 109.945 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.51 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 5.3 m -69.89 148.85 48.5 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.744 -0.598 . . . . 25.0 111.2 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -59.48 -48.79 80.31 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.612 1.338 . . . . 25.0 114.612 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -32.56 66.15 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 118.489 0.586 . . . . 25.0 112.211 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -77.61 -24.54 49.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.369 0.604 . . . . 25.0 110.33 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 tp -67.6 -30.67 70.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.813 -0.554 . . . . 25.0 110.448 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.547 ' HB2' HD11 ' B' ' 61' ' ' LEU . 32.5 ttpt -61.85 -31.84 72.13 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 120.299 -0.56 . . . . 25.0 110.267 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -64.12 -47.43 79.99 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.098 -0.704 . . . . 25.0 109.098 177.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.09 -46.96 87.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.87 -31.84 72.96 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 115.59 -0.732 . . . . 25.0 111.743 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -81.67 -22.41 37.52 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.965 -0.459 . . . . 25.0 111.092 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 53.8 m -90.35 -52.4 4.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.877 -0.601 . . . . 25.0 111.892 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -92.36 -40.09 11.1 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.646 0.61 . . . . 25.0 112.646 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.436 HD13 HD22 ' A' ' 4' ' ' LEU . 8.7 tp -89.44 10.17 23.62 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.529 0.681 . . . . 25.0 109.738 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -39.44 30.47 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 115.458 1.651 . . . . 25.0 115.458 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.53 -30.67 61.84 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 120.557 -0.83 . . . . 25.0 111.282 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -73.63 -30.5 62.99 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.687 -0.89 . . . . 25.0 109.03 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.29 -38.99 82.21 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.68 -36.66 81.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.52 0.676 . . . . 25.0 111.3 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.09 39.94 1.55 Allowed 'General case' 0 C--O 1.247 0.941 0 CA-C-O 121.724 0.774 . . . . 25.0 109.708 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -71.75 162.02 30.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.917 -1.038 . . . . 25.0 108.3 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -131.09 -50.96 1.02 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.287 -0.635 . . . . 25.0 109.287 176.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -84.87 92.63 8.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.526 0.679 . . . . 25.0 109.873 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 29.0 m -66.0 -21.35 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.386 -0.825 . . . . 25.0 112.996 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -81.59 -47.57 12.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.91 70.66 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.247 0.462 . . . . 25.0 112.247 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.19 -38.76 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.29 -28.4 57.0 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.302 -0.863 . . . . 25.0 111.263 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -59.61 -38.64 81.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.019 -0.426 . . . . 25.0 111.585 177.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 50.0 t -68.56 -40.84 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 122.277 1.037 . . . . 25.0 108.717 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.4 mmt -72.02 -46.53 56.77 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 115.138 -0.937 . . . . 25.0 111.829 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -36.0 82.48 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.143 -0.317 . . . . 25.0 110.143 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -59.48 -48.78 80.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -79.21 -20.55 48.0 Favored 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 118.685 -1.206 . . . . 25.0 110.488 -174.186 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.91 -26.91 68.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.037 0.446 . . . . 25.0 110.894 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -103.0 -25.35 13.48 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.472 0.653 . . . . 25.0 110.747 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -94.82 21.77 7.15 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.84 22.9 4.61 Favored Glycine 0 C--O 1.213 -1.209 0 CA-C-N 115.562 -0.744 . . . . 25.0 112.327 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -115.96 -1.91 12.43 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 122.527 -0.396 . . . . 25.0 110.246 167.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.47 -155.99 32.29 Favored Glycine 0 N--CA 1.433 -1.527 0 N-CA-C 109.551 -1.42 . . . . 25.0 109.551 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.51 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 11.8 pt-20 -155.46 163.52 39.92 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 113.809 -1.196 . . . . 25.0 110.175 -169.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 m -141.93 168.25 15.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 122.097 0.951 . . . . 25.0 110.851 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -120.58 -174.2 2.75 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 105.157 -2.164 . . . . 25.0 105.157 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.96 -46.71 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.496 0.924 . . . . 25.0 113.496 177.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.494 ' O ' HG23 ' B' ' 76' ' ' VAL . 65.2 tt0 -54.95 -46.85 75.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.975 0.352 . . . . 25.0 111.343 -177.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.54 -39.74 70.5 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.107 0.956 . . . . 25.0 108.98 -173.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -38.81 86.78 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.237 -0.892 . . . . 25.0 109.829 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 72.6 t -71.97 -36.22 56.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 121.173 -0.211 . . . . 25.0 110.561 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 72' ' ' GLN . 75.3 t -57.73 -46.66 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 176.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 mt -69.29 -38.41 78.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 25.0 111.255 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.7 -43.86 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.49 -36.47 81.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.957 -0.464 . . . . 25.0 110.743 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.14 -41.23 97.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.278 0.561 . . . . 25.0 110.2 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 tt -68.58 -35.77 77.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.448 0.642 . . . . 25.0 109.488 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -64.46 -40.2 95.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.378 -0.373 . . . . 25.0 111.834 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.539 HG11 ' HB2' ' A' ' 72' ' ' GLN . 20.8 m -71.28 -23.84 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 120.783 -1.198 . . . . 25.0 112.343 177.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.26 0.24 4.01 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.412 0.625 . . . . 25.0 111.131 171.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -78.73 -15.45 58.43 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.472 -1.393 . . . . 25.0 109.094 177.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -55.47 -21.09 14.83 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.405 -0.816 . . . . 25.0 110.756 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -50.32 -31.63 14.95 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.511 1.124 . . . . 25.0 113.822 174.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -91.34 -11.77 36.94 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.515 -0.74 . . . . 25.0 112.048 -178.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -104.95 7.66 34.26 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 122.805 0.442 . . . . 25.0 111.459 -174.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -153.36 174.22 14.61 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 101.527 -3.509 . . . . 25.0 101.527 -177.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -75.3 78.44 2.39 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 122.957 0.503 . . . . 25.0 110.705 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.254 1.326 0 N-CA-C 114.454 1.279 . . . . 25.0 114.454 176.663 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 CA-C-O 119.466 -0.63 . . . . 25.0 111.615 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.91 170.97 7.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 174.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.48 -39.52 84.0 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.339 0.59 . . . . 25.0 110.259 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.692 HD11 HD13 ' B' ' 11' ' ' LEU . 13.4 tp -68.15 -32.99 73.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.925 0.869 . . . . 25.0 112.277 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -74.23 -34.95 63.82 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.009 -0.541 . . . . 25.0 110.346 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.9 p -72.8 -26.11 61.4 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.99 86.14 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 173.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.4 mmm -70.09 -33.05 71.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.173 0.805 . . . . 25.0 113.173 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -70.58 -25.4 63.05 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 120.026 -0.67 . . . . 25.0 109.563 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.4 m -65.13 -42.56 93.75 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.118 -0.364 . . . . 25.0 110.552 172.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.2 -35.87 76.38 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.898 -0.779 . . . . 25.0 108.898 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.58 -45.68 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -59.57 -48.82 80.15 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 122.126 -0.359 . . . . 25.0 110.747 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.76 -43.36 98.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.52 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -62.43 -49.13 76.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.128 0.489 . . . . 25.0 109.979 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -61.08 -30.47 70.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.855 -0.611 . . . . 25.0 112.176 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.08 75.4 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 111.738 0.273 . . . . 25.0 111.738 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -83.92 -19.32 34.91 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 111.697 0.258 . . . . 25.0 111.697 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.8 m -61.14 167.8 2.87 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.38 -5.82 65.36 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 120.984 -0.627 . . . . 25.0 112.157 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -63.12 -39.24 94.11 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 177.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -96.84 41.65 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.711 1.375 . . . . 25.0 114.711 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.48 -30.96 3.01 Favored Glycine 0 C--N 1.306 -1.093 0 N-CA-C 117.329 1.692 . . . . 25.0 117.329 173.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -119.69 137.77 53.7 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 117.866 0.833 . . . . 25.0 109.246 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -78.9 -12.25 60.02 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 113.92 1.082 . . . . 25.0 113.92 -174.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -91.34 4.18 53.03 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.763 -0.829 . . . . 25.0 108.763 175.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -131.98 151.6 51.63 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.104 0.478 . . . . 25.0 111.899 -176.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -138.79 134.79 33.9 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 109.095 -0.705 . . . . 25.0 109.095 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -65.07 147.69 53.02 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 111.908 0.336 . . . . 25.0 111.908 179.11 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -63.13 -47.14 84.04 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.061 0.763 . . . . 25.0 113.061 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -58.75 -29.02 66.43 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.407 0.549 . . . . 25.0 111.908 176.552 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -83.01 -23.76 33.15 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 121.554 0.693 . . . . 25.0 110.876 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD11 ' HD1' ' A' ' 74' ' ' TYR . 17.7 tp -64.69 -32.8 74.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.129 0.49 . . . . 25.0 109.841 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HB2' HD11 ' A' ' 61' ' ' LEU . 25.8 tttp -55.18 -38.71 68.7 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.751 -0.659 . . . . 25.0 110.983 177.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.3 -48.51 75.4 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.273 -0.639 . . . . 25.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.11 -45.74 90.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.65 0.738 . . . . 25.0 109.411 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.79 -30.61 71.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.563 -0.744 . . . . 25.0 111.976 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -81.78 -22.68 37.03 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 122.841 0.456 . . . . 25.0 111.736 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -93.88 -52.67 4.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.99 -0.55 . . . . 25.0 112.123 -174.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -91.28 -42.67 10.26 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.366 0.603 . . . . 25.0 112.011 -176.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD13 HD22 ' B' ' 4' ' ' LEU . 9.9 tp -87.36 8.26 25.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.837 -0.619 . . . . 25.0 110.119 -178.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.04 -37.04 8.71 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 116.239 1.94 . . . . 25.0 116.239 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.99 -36.8 56.9 Favored Glycine 0 C--O 1.224 -0.507 0 C-N-CA 120.141 -1.028 . . . . 25.0 111.209 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -71.8 -29.74 64.78 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 176.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.7 tp -68.83 -42.95 76.47 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 121.418 0.627 . . . . 25.0 109.803 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.2 -32.71 73.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.524 -0.762 . . . . 25.0 111.716 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.71 22.49 4.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.307 -0.406 . . . . 25.0 110.436 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.33 152.45 29.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.088 0.47 . . . . 25.0 110.189 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -135.04 -50.36 0.76 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.15 86.78 4.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.81 -1.182 . . . . 25.0 107.81 172.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.8 m -64.79 -25.2 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.745 -0.661 . . . . 25.0 110.538 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.24 -38.62 82.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.187 0.518 . . . . 25.0 110.501 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.2 -39.03 23.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 -176.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -65.57 -38.13 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.612 0.72 . . . . 25.0 109.394 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -78.9 -26.33 43.79 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.516 -0.765 . . . . 25.0 109.629 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -60.97 -37.35 82.12 Favored 'General case' 0 C--O 1.215 -0.741 0 C-N-CA 120.84 -0.344 . . . . 25.0 111.442 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.73 -42.13 80.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 122.053 0.93 . . . . 25.0 108.842 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.7 mmt -70.49 -46.67 63.29 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.373 -0.83 . . . . 25.0 111.75 -176.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -35.37 80.62 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.428 -0.212 . . . . 25.0 110.428 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -60.24 -48.06 83.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -79.25 -20.18 48.81 Favored 'General case' 0 C--O 1.21 -0.982 0 C-N-CA 118.933 -1.107 . . . . 25.0 110.624 -174.796 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.04 -27.35 69.35 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.073 0.463 . . . . 25.0 110.747 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -103.56 -23.77 13.47 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.393 0.616 . . . . 25.0 110.955 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -96.65 19.83 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.009 -0.541 . . . . 25.0 110.309 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.33 20.77 3.88 Favored Glycine 0 C--O 1.218 -0.883 0 CA-C-O 121.841 0.689 . . . . 25.0 112.636 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -99.27 -29.89 12.55 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.62 -152.93 29.08 Favored Glycine 0 N--CA 1.438 -1.211 0 CA-C-O 123.295 1.497 . . . . 25.0 113.974 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -152.93 165.41 35.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 112.988 -1.606 . . . . 25.0 110.385 -171.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 m -134.95 173.12 14.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.278 -0.874 . . . . 25.0 110.492 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -121.41 -174.25 2.81 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 106.201 -1.777 . . . . 25.0 106.201 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -53.85 -49.08 69.25 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 177.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.1 tt0 -55.75 -45.05 78.11 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.102 0.41 . . . . 25.0 111.034 -176.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -44.26 71.48 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.123 0.963 . . . . 25.0 109.553 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.407 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -58.43 -38.81 78.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.028 -0.987 . . . . 25.0 110.27 -178.792 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' B' ' 79' ' ' ALA . 82.8 t -72.89 -36.16 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 122.223 -0.298 . . . . 25.0 110.921 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 72' ' ' GLN . 72.6 t -58.4 -46.32 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 176.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.81 -36.98 76.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.84 -0.618 . . . . 25.0 110.923 -177.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.0 t -63.08 -44.8 99.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 175.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.61 88.12 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.051 -0.405 . . . . 25.0 110.554 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.06 95.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.412 0.625 . . . . 25.0 110.463 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.47 -37.34 82.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.451 0.643 . . . . 25.0 109.586 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.2 m -62.46 -43.61 98.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.169 -0.469 . . . . 25.0 111.733 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.489 HG11 ' HB2' ' B' ' 72' ' ' GLN . 23.5 m -70.63 -23.97 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 120.706 -1.246 . . . . 25.0 112.183 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.95 -26.71 68.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.235 0.541 . . . . 25.0 110.717 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -95.83 -15.49 22.46 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.642 -1.286 . . . . 25.0 109.185 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -46.59 -26.56 0.92 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.181 0.992 . . . . 25.0 113.353 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.68 -16.4 1.63 Allowed 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.874 1.064 . . . . 25.0 113.874 174.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.21 -23.33 67.38 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 121.043 -1.035 . . . . 25.0 112.476 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -110.71 -7.6 14.64 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 -173.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -155.97 128.78 7.91 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.33 -0.85 . . . . 25.0 109.847 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.57 78.87 3.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.629 0.728 . . . . 25.0 110.301 -179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.244 0.806 0 CA-C-O 116.124 -1.894 . . . . 25.0 106.999 177.736 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.482 0 CA-C-O 119.406 -0.663 . . . . 25.0 111.934 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.99 -179.45 0.73 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 117.431 0.616 . . . . 25.0 111.018 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.46 -46.01 91.85 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.414 0.626 . . . . 25.0 110.486 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.409 HD22 HD13 ' A' ' 41' ' ' LEU . 3.4 tt -65.98 -40.65 91.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.035 0.921 . . . . 25.0 109.723 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -68.16 -35.03 77.42 Favored 'General case' 0 C--N 1.315 -0.914 0 O-C-N 121.458 -0.776 . . . . 25.0 111.939 -176.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.5 p -73.84 -31.15 63.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 176.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.8 -48.02 82.75 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 172.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mmm -72.23 -29.74 64.24 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -72.82 -24.42 60.9 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.363 -0.835 . . . . 25.0 109.526 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -63.51 -44.46 94.26 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 170.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.692 HD13 HD11 ' A' ' 4' ' ' LEU . 3.9 mm? -62.2 -38.6 89.76 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.68 -48.31 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -58.15 -49.6 76.42 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.776 0.322 . . . . 25.0 110.583 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -67.41 -42.82 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-N 115.602 -0.726 . . . . 25.0 111.968 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.438 ' HB2' ' CE2' ' B' ' 74' ' ' TYR . 83.3 t80 -59.36 -51.23 70.79 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.586 -0.696 . . . . 25.0 110.38 178.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -71.34 -14.67 62.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.85 54.84 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 175.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -78.96 -24.67 43.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.662 -0.244 . . . . 25.0 111.449 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -59.97 158.35 11.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.334 0.588 . . . . 25.0 111.613 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.57 2.06 61.8 Favored Glycine 0 C--O 1.222 -0.599 0 C-N-CA 120.817 -0.706 . . . . 25.0 114.212 -178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -59.4 -40.28 86.11 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.667 0.746 . . . . 25.0 109.179 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -77.43 -25.73 50.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.55 -1.205 . . . . 25.0 113.099 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.69 -30.87 4.1 Favored Glycine 0 CA--C 1.52 0.346 0 CA-C-N 115.592 -0.731 . . . . 25.0 113.96 -175.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -92.65 118.09 30.67 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.646 -1.612 . . . . 25.0 106.646 172.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -70.19 -15.34 62.93 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 115.563 1.69 . . . . 25.0 115.563 -172.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -102.34 7.47 40.53 Favored 'General case' 0 C--N 1.31 -1.138 0 C-N-CA 120.42 -0.512 . . . . 25.0 110.393 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -120.58 154.22 35.7 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 123.584 0.754 . . . . 25.0 110.542 174.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.0 tp -132.43 129.71 39.64 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 173.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.29 146.42 54.4 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.0 -40.49 89.42 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -29.55 70.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.633 1.106 . . . . 25.0 109.928 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.56 -23.71 39.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.616 0.722 . . . . 25.0 110.217 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.539 HD11 ' HD1' ' B' ' 74' ' ' TYR . 19.2 tp -66.12 -35.31 80.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.214 0.531 . . . . 25.0 109.908 175.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.55 ' HB2' HD11 ' B' ' 61' ' ' LEU . 31.4 ttpt -61.26 -33.92 74.33 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 116.028 -0.533 . . . . 25.0 110.369 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -63.05 -48.5 78.43 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.86 -46.6 87.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.42 0.628 . . . . 25.0 109.386 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.32 -32.11 72.82 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.859 -0.609 . . . . 25.0 112.162 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.95 -22.34 36.73 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.498 0.719 . . . . 25.0 110.847 -178.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 55.7 m -91.9 -60.62 1.82 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.922 -0.581 . . . . 25.0 111.084 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -81.37 -42.63 20.19 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.054 0.454 . . . . 25.0 111.999 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.95 13.72 17.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.154 0.502 . . . . 25.0 111.957 -177.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.12 -35.56 11.71 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.709 1.374 . . . . 25.0 114.709 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.19 -33.17 59.49 Favored Glycine 0 C--O 1.227 -0.284 0 C-N-CA 120.532 -0.842 . . . . 25.0 112.106 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -71.01 -31.74 68.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.207 -1.035 . . . . 25.0 108.207 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -69.24 -41.48 76.93 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 110.075 -0.342 . . . . 25.0 110.075 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.06 -31.46 72.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.607 0.718 . . . . 25.0 111.284 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.17 27.64 7.03 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 115.924 -0.58 . . . . 25.0 110.914 -176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -63.91 152.65 39.26 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -124.51 -49.52 1.78 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 174.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -82.09 87.8 6.47 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.7 m -63.92 -24.01 34.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 115.666 -0.697 . . . . 25.0 110.801 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -76.2 -40.29 52.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.52 -0.309 . . . . 25.0 110.773 177.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.5 -35.93 53.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 p -63.34 -38.56 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 107.861 -1.163 . . . . 25.0 107.861 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -77.23 -29.59 54.16 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.275 -0.875 . . . . 25.0 111.261 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -26.43 68.24 Favored 'General case' 0 C--O 1.21 -1.014 0 C-N-CA 121.137 -0.225 . . . . 25.0 111.467 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 66.1 t -85.47 -45.42 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.573 0.701 . . . . 25.0 109.724 175.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 mmt -68.05 -53.4 25.93 Favored 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 -173.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -35.58 80.93 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.784 -0.45 . . . . 25.0 109.784 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -60.71 -46.16 91.47 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.555 -0.458 . . . . 25.0 109.926 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.55 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.74 -22.66 49.95 Favored 'General case' 0 C--O 1.207 -1.134 0 C-N-CA 119.029 -1.069 . . . . 25.0 110.857 -177.208 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.57 -26.79 67.2 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 111.81 0.3 . . . . 25.0 111.81 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -106.11 -21.47 13.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.546 0.688 . . . . 25.0 111.488 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -96.53 15.87 20.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.657 0.742 . . . . 25.0 109.564 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.75 -19.96 65.76 Favored Glycine 0 C--O 1.217 -0.919 0 N-CA-C 115.341 0.896 . . . . 25.0 115.341 -170.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.0 6.74 43.56 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.929 0.871 . . . . 25.0 110.748 -171.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.15 -156.61 32.9 Favored Glycine 0 N--CA 1.418 -2.545 0 N-CA-C 104.376 -3.489 . . . . 25.0 104.376 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -149.6 169.42 21.01 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 122.044 -0.68 . . . . 25.0 109.694 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.9 166.02 23.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.956 -1.02 . . . . 25.0 108.838 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -118.71 -174.09 2.62 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.632 -1.988 . . . . 25.0 105.632 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -53.98 -46.28 71.63 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.489 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.4 tt0 -55.48 -46.43 76.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 118.172 0.442 . . . . 25.0 111.69 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.29 -46.44 64.3 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.92 -1.141 . . . . 25.0 107.92 -174.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.539 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.7 OUTLIER -57.41 -40.55 78.53 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.459 -1.246 . . . . 25.0 111.38 -176.09 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.23 -37.57 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 122.39 -0.194 . . . . 25.0 110.722 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.445 HG22 HG22 ' A' ' 76' ' ' VAL . 54.7 t -60.49 -43.62 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.7 -37.3 76.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.886 0.374 . . . . 25.0 110.912 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -63.56 -42.28 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.427 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -68.83 -35.31 76.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.904 -0.497 . . . . 25.0 111.916 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.56 97.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.293 0.568 . . . . 25.0 109.607 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -36.4 77.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.358 0.599 . . . . 25.0 109.59 177.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 47.9 m -60.25 -44.86 94.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.184 -0.462 . . . . 25.0 110.818 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.441 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.8 m -74.41 -23.9 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 121.253 -0.904 . . . . 25.0 112.587 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.37 -21.71 66.24 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.866 0.841 . . . . 25.0 109.472 173.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -68.25 -16.66 64.05 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.541 1.312 . . . . 25.0 114.541 -175.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -54.61 -20.06 7.27 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 115.254 1.576 . . . . 25.0 115.254 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -43.8 -15.92 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 114.354 1.242 . . . . 25.0 114.354 171.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -54.36 -28.92 46.26 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.115 0.566 . . . . 25.0 111.999 173.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -107.36 21.48 17.43 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.066 0.395 . . . . 25.0 112.066 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -114.29 111.7 21.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.767 0.794 . . . . 25.0 109.633 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.36 78.44 9.28 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 177.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.358 -0.83 . . . . 25.0 110.115 178.134 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.89 0 CA-C-O 118.817 -0.99 . . . . 25.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m -69.89 170.57 10.89 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 175.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -62.44 -39.66 94.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.135 0.493 . . . . 25.0 109.76 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.422 HD12 HG11 ' B' ' 14' ' ' VAL . 1.5 tt -65.16 -41.77 94.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.568 0.699 . . . . 25.0 111.022 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -63.98 -37.96 89.33 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.631 -0.668 . . . . 25.0 111.115 -176.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -77.64 -27.86 51.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.262 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.61 96.18 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.436 -0.949 . . . . 25.0 108.436 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -71.54 -31.8 67.42 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.21 -28.02 66.0 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -64.35 -43.05 95.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.82 0.343 . . . . 25.0 110.335 173.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.07 -33.64 73.64 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.49 -45.28 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -58.5 -46.61 86.34 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.489 0.661 . . . . 25.0 110.408 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG11 HD12 ' B' ' 4' ' ' LEU . 72.8 t -65.92 -42.67 92.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.24 -0.891 . . . . 25.0 111.592 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.24 -43.98 95.62 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.553 -0.717 . . . . 25.0 109.35 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -66.02 -17.55 64.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.48 -49.3 67.06 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.822 -0.549 . . . . 25.0 111.252 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -94.59 -11.78 28.75 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.403 ' HA ' HD13 ' A' ' 28' ' ' LEU . 96.1 p -62.94 165.19 7.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.137 0.494 . . . . 25.0 111.021 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.43 -7.71 61.88 Favored Glycine 0 C--O 1.221 -0.718 0 C-N-CA 120.052 -1.071 . . . . 25.0 113.56 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -25.27 66.78 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 117.416 0.608 . . . . 25.0 109.496 175.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -77.37 -29.34 53.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.748 0.785 . . . . 25.0 111.108 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.67 -30.95 5.18 Favored Glycine 0 C--O 1.229 -0.21 0 N-CA-C 110.755 -0.938 . . . . 25.0 110.755 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -98.41 143.39 28.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.176 -1.416 . . . . 25.0 107.176 173.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -91.38 -9.34 45.14 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 115.476 1.658 . . . . 25.0 115.476 -170.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -105.86 16.44 25.18 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 107.159 -1.423 . . . . 25.0 107.159 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -133.77 158.68 42.73 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.626 -1.17 . . . . 25.0 110.642 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 19' ' ' SER . 14.7 tp -153.81 136.05 14.87 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.494 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 4.3 m -67.31 149.92 49.7 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.853 -0.529 . . . . 25.0 111.381 179.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -58.96 -51.67 69.07 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.827 1.047 . . . . 25.0 113.827 -175.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -28.94 61.88 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.917 0.71 . . . . 25.0 112.917 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -79.37 -23.51 43.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.974 0.416 . . . . 25.0 110.631 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.0 tp -69.91 -25.63 63.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.863 -0.523 . . . . 25.0 110.734 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HB2' HD11 ' A' ' 61' ' ' LEU . 44.6 tttp -56.09 -40.78 74.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.112 0.482 . . . . 25.0 109.749 176.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.41 -46.51 82.93 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.865 -0.607 . . . . 25.0 110.04 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.62 -47.07 87.03 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.936 -0.764 . . . . 25.0 108.936 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.28 -30.57 71.22 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 116.072 -0.513 . . . . 25.0 111.611 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -82.18 -22.15 36.15 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 122.082 -0.386 . . . . 25.0 111.865 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.1 m -94.64 -50.58 5.11 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.767 -176.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -98.18 -19.4 17.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.404 HD13 HD22 ' B' ' 4' ' ' LEU . 12.0 tp -112.26 12.44 20.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.443 -0.947 . . . . 25.0 108.443 176.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.02 -44.01 9.68 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 116.898 2.184 . . . . 25.0 116.898 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.52 -30.9 59.48 Favored Glycine 0 C--O 1.225 -0.455 0 O-C-N 121.402 -0.811 . . . . 25.0 111.68 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -73.28 -23.63 60.33 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -78.56 -38.9 39.19 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 123.051 0.54 . . . . 25.0 110.275 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.45 -30.59 70.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.558 0.694 . . . . 25.0 111.176 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.98 21.91 7.14 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.972 -0.558 . . . . 25.0 110.928 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.89 152.57 27.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.319 . . . . 25.0 110.693 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -133.9 -54.58 0.87 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.508 -0.314 . . . . 25.0 110.197 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -78.19 90.79 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.725 -1.213 . . . . 25.0 107.725 171.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.76 -26.65 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.182 0.515 . . . . 25.0 110.462 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.47 -39.24 77.84 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.253 0.549 . . . . 25.0 109.656 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.62 -36.24 38.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.916 -175.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.59 -38.68 82.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 108.601 -0.889 . . . . 25.0 108.601 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -80.64 -24.84 38.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.031 -0.532 . . . . 25.0 110.883 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -31.45 65.22 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 109.57 -0.53 . . . . 25.0 109.57 174.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.2 t -82.06 -44.84 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.367 0.604 . . . . 25.0 110.19 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.5 mmt -68.54 -51.99 36.85 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 113.224 0.824 . . . . 25.0 113.224 -174.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -36.33 83.36 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.958 -0.386 . . . . 25.0 109.958 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -61.3 -43.69 98.45 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.628 -0.429 . . . . 25.0 110.701 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -77.97 -23.09 48.55 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 119.214 -0.994 . . . . 25.0 109.797 -177.326 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.94 -26.04 67.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.178 0.513 . . . . 25.0 110.421 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -97.93 -25.8 14.87 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.716 0.77 . . . . 25.0 110.122 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -95.26 19.23 10.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.572 -0.74 . . . . 25.0 109.336 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.44 25.2 1.37 Allowed Glycine 0 C--O 1.22 -0.754 0 CA-C-N 115.904 -0.589 . . . . 25.0 114.348 -176.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -115.86 -13.88 11.33 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.772 0.32 . . . . 25.0 110.542 172.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.92 -154.48 29.7 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-O 122.868 1.26 . . . . 25.0 111.735 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.494 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 11.3 pt-20 -152.9 165.01 36.8 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 113.815 -1.193 . . . . 25.0 110.447 -170.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 m -142.58 167.86 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 123.876 0.735 . . . . 25.0 110.758 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -120.98 -174.18 2.77 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 106.006 -1.85 . . . . 25.0 106.006 174.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -53.35 -48.12 68.81 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.504 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.6 tt0 -55.35 -45.92 76.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.168 0.44 . . . . 25.0 110.853 -177.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.42 -42.12 75.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.122 0.963 . . . . 25.0 109.965 -175.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.96 -39.52 89.86 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.223 -0.898 . . . . 25.0 110.031 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 81.0 t -71.29 -35.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 122.284 -0.26 . . . . 25.0 110.853 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 72' ' ' GLN . 71.5 t -57.96 -44.88 87.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 176.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.4 mt -70.8 -36.25 72.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.346 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 t -63.88 -44.11 97.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.789 -0.449 . . . . 25.0 109.789 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.24 85.16 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.901 -0.5 . . . . 25.0 110.48 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.47 99.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.377 0.608 . . . . 25.0 110.488 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.95 -36.23 79.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.423 0.63 . . . . 25.0 109.828 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.5 m -62.27 -48.31 80.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.211 -0.449 . . . . 25.0 111.123 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.482 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.2 m -67.35 -18.87 24.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 N-CA-C 113.79 1.033 . . . . 25.0 113.79 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.85 0.3 0.38 Allowed 'General case' 0 CA--C 1.55 0.956 0 CA-C-O 121.292 0.568 . . . . 25.0 112.194 171.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -67.41 -15.55 63.74 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.057 -1.027 . . . . 25.0 113.193 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.0 -22.11 5.29 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -17.99 24.32 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.551 0.574 . . . . 25.0 112.551 175.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -73.27 -20.67 60.78 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.093 0.405 . . . . 25.0 112.093 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -118.25 -11.84 10.03 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 -173.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -159.17 148.17 18.38 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -86.0 78.4 9.46 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 C--O 1.247 0.957 0 CA-C-O 116.808 -1.568 . . . . 25.0 109.54 -179.507 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 CA-C-O 119.304 -0.72 . . . . 25.0 111.484 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 64.7 p -71.51 174.49 6.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 173.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -61.56 -39.12 89.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.118 0.485 . . . . 25.0 110.594 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.47 HD12 HG11 ' A' ' 14' ' ' VAL . 1.8 tt -67.13 -42.39 84.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.674 0.75 . . . . 25.0 109.942 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -66.05 -35.55 80.85 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 121.715 -0.616 . . . . 25.0 110.993 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -74.65 -26.98 60.23 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.259 -0.576 . . . . 25.0 110.907 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.03 94.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 175.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 94.8 mmm -71.06 -33.93 70.72 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.705 0.631 . . . . 25.0 112.705 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.12 -29.24 68.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.878 0.763 . . . . 25.0 109.038 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -64.08 -44.26 92.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.777 0.322 . . . . 25.0 110.489 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.4 -36.54 78.34 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.56 -46.1 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.287 -0.634 . . . . 25.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.52 -45.05 89.65 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.159 0.504 . . . . 25.0 110.905 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.422 HG11 HD12 ' A' ' 4' ' ' LEU . 79.6 t -65.64 -44.49 93.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 115.084 -0.962 . . . . 25.0 110.666 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -59.7 -46.8 87.97 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.765 -0.585 . . . . 25.0 109.779 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -66.57 -21.55 66.15 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.96 89.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.669 0.271 . . . . 25.0 110.62 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -102.38 -14.62 16.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.894 0.701 . . . . 25.0 112.894 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.6 p -63.46 167.68 5.27 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 -173.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.69 25.87 61.95 Favored Glycine 0 CA--C 1.505 -0.536 0 N-CA-C 115.04 0.776 . . . . 25.0 115.04 175.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.53 -31.67 70.04 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 107.337 -1.357 . . . . 25.0 107.337 174.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -89.36 -2.45 58.43 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 114.187 -1.37 . . . . 25.0 111.713 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.24 -30.86 9.06 Favored Glycine 0 N--CA 1.459 0.171 0 CA-C-N 115.992 -0.549 . . . . 25.0 114.339 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -83.48 119.15 24.32 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 107.519 -1.289 . . . . 25.0 107.519 176.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -83.0 -8.75 59.53 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.049 1.129 . . . . 25.0 114.049 -171.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -95.75 6.05 49.86 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.343 -1.355 . . . . 25.0 107.343 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -128.65 159.76 34.56 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.851 -0.613 . . . . 25.0 111.553 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.65 135.78 20.13 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 106.773 -1.566 . . . . 25.0 106.773 174.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -65.17 146.14 55.36 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.816 -0.553 . . . . 25.0 109.783 -179.685 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -58.52 -43.37 89.13 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.203 0.816 . . . . 25.0 113.203 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.76 -29.79 70.35 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.841 0.746 . . . . 25.0 111.116 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -78.55 -25.85 45.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.711 -0.677 . . . . 25.0 109.818 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.467 HD22 HG21 ' B' ' 69' ' ' VAL . 17.1 tp -65.59 -30.83 71.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.987 -0.446 . . . . 25.0 110.504 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -61.08 -31.3 70.97 Favored 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 120.837 -0.345 . . . . 25.0 110.846 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -63.58 -48.54 76.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.2 -46.01 92.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.89 -0.782 . . . . 25.0 108.89 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.2 -30.72 71.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.262 0.554 . . . . 25.0 111.822 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -81.92 -22.33 36.82 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 122.94 0.496 . . . . 25.0 111.47 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 43.2 m -97.64 -56.71 2.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.847 -0.615 . . . . 25.0 112.523 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -90.15 -18.17 26.29 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -174.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.421 HD13 HD22 ' A' ' 4' ' ' LEU . 11.2 tp -113.81 11.69 18.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.453 0.644 . . . . 25.0 109.446 176.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.09 -38.82 18.53 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.078 1.51 . . . . 25.0 115.078 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.51 -28.89 72.93 Favored Glycine 0 C--O 1.224 -0.494 0 C-N-CA 120.79 -0.719 . . . . 25.0 112.553 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -79.5 -28.33 41.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.696 -0.884 . . . . 25.0 108.764 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.4 mt -69.39 -39.33 78.06 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.289 -0.634 . . . . 25.0 109.289 175.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -67.37 -33.96 76.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.612 0.72 . . . . 25.0 111.406 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.73 24.74 7.96 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.062 -0.517 . . . . 25.0 111.173 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -62.2 152.38 33.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.928 0.394 . . . . 25.0 110.156 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -128.41 -48.3 1.3 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -82.22 87.44 6.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 175.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.53 -24.7 36.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 CA-C-N 115.687 -0.688 . . . . 25.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.21 -41.89 60.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.095 0.474 . . . . 25.0 111.23 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.55 -37.17 37.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.452 -0.34 . . . . 25.0 111.679 -176.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 p -64.88 -37.65 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -79.31 -29.44 42.38 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.212 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -60.88 -40.77 94.23 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 120.752 -0.379 . . . . 25.0 111.528 176.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -67.0 -41.12 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.4 mmt -69.29 -46.79 66.33 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 115.561 -0.745 . . . . 25.0 112.188 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.98 -36.44 82.18 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 121.363 -0.135 . . . . 25.0 110.668 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -61.28 -44.46 97.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.03 -21.92 50.01 Favored 'General case' 0 C--O 1.205 -1.284 0 C-N-CA 119.327 -0.949 . . . . 25.0 110.148 -177.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -63.53 -26.28 68.63 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.884 -0.51 . . . . 25.0 111.268 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -101.03 -25.53 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.47 0.653 . . . . 25.0 110.794 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -97.19 9.06 43.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.771 -0.65 . . . . 25.0 111.281 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.89 -24.49 62.7 Favored Glycine 0 C--O 1.217 -0.923 0 N-CA-C 116.63 1.412 . . . . 25.0 116.63 -167.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.67 3.14 48.98 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.676 0.75 . . . . 25.0 110.448 -171.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.52 -156.4 31.83 Favored Glycine 0 N--CA 1.421 -2.35 0 N-CA-C 105.72 -2.952 . . . . 25.0 105.72 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -150.97 165.19 34.47 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.055 0.455 . . . . 25.0 110.375 -173.6 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.467 HG21 HD22 ' B' ' 33' ' ' LEU . 3.4 m -136.79 167.48 23.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.334 -0.848 . . . . 25.0 108.972 178.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -119.82 -174.15 2.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 105.979 -1.86 . . . . 25.0 105.979 174.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.09 -47.55 68.48 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.482 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.5 tt0 -55.21 -47.12 75.77 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.294 0.497 . . . . 25.0 110.77 -177.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.81 -44.47 73.45 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-O 122.076 0.941 . . . . 25.0 109.05 -174.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -40.78 81.43 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.939 -1.028 . . . . 25.0 110.421 -178.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.1 t -71.41 -36.33 60.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 122.238 -0.289 . . . . 25.0 110.95 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.421 HG22 HG22 ' A' ' 76' ' ' VAL . 55.0 t -59.96 -44.65 95.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.593 -0.521 . . . . 25.0 109.593 177.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.4 mt -69.4 -37.4 77.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.128 0.49 . . . . 25.0 110.831 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.1 t -62.53 -44.09 99.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.37 82.96 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.06 -0.4 . . . . 25.0 111.287 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.73 97.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.298 0.571 . . . . 25.0 110.1 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.25 -35.85 78.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.426 0.632 . . . . 25.0 109.64 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 76.3 m -61.81 -44.94 95.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.081 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.481 HG11 ' HB2' ' A' ' 72' ' ' GLN . 28.6 m -71.15 -26.98 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 120.878 -1.139 . . . . 25.0 111.693 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.7 -23.23 66.09 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.569 0.7 . . . . 25.0 110.831 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -101.27 -15.34 17.32 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.963 -1.086 . . . . 25.0 111.985 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -51.06 -20.91 1.58 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -46.22 -25.29 0.59 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.231 1.197 . . . . 25.0 114.231 171.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -68.33 -27.53 66.36 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -107.62 -19.13 13.65 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 113.196 0.813 . . . . 25.0 113.196 -175.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -135.52 111.4 9.44 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.417 -1.265 . . . . 25.0 108.156 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -87.73 77.9 8.54 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.487 0.661 . . . . 25.0 111.416 -172.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 C--O 1.245 0.851 0 CA-C-N 115.029 -0.987 . . . . 25.0 112.255 179.769 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.964 0 N-CA-C 111.75 -0.54 . . . . 25.0 111.75 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -72.37 179.41 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.042 0.421 . . . . 25.0 110.613 176.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.28 -41.5 97.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.975 0.417 . . . . 25.0 110.617 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.447 HD22 HD13 ' B' ' 41' ' ' LEU . 2.8 tt -65.3 -41.85 93.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.27 0.557 . . . . 25.0 110.189 177.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.26 -40.7 98.14 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.623 -0.673 . . . . 25.0 110.82 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.9 p -71.7 -27.81 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.449 -0.5 . . . . 25.0 110.64 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.48 95.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -72.78 -32.03 65.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.585 0.957 . . . . 25.0 113.585 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.77 -26.6 65.3 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.1 m -64.74 -43.3 93.8 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.573 -0.285 . . . . 25.0 110.634 172.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.4 -36.31 77.83 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.51 -45.4 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.73 -49.41 77.73 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.068 0.461 . . . . 25.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.424 HG11 HD12 ' B' ' 4' ' ' LEU . 69.7 t -62.2 -44.24 98.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.664 -0.698 . . . . 25.0 111.794 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.51 -48.39 79.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.764 -0.585 . . . . 25.0 110.263 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -62.6 -29.49 70.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.922 -0.581 . . . . 25.0 111.835 -177.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.88 93.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.112 0.412 . . . . 25.0 112.112 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -93.73 -19.38 21.13 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -61.75 155.49 22.78 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.58 14.46 43.88 Favored Glycine 0 C--O 1.227 -0.333 0 N-CA-C 114.855 0.702 . . . . 25.0 114.855 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -67.78 -33.86 75.66 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.45 -0.945 . . . . 25.0 108.45 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -86.25 -6.1 59.04 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.444 -1.253 . . . . 25.0 112.908 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.41 -29.99 10.94 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-O 119.304 -0.72 . . . . 25.0 114.163 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -82.31 117.36 22.33 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.05 -1.463 . . . . 25.0 107.05 175.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -70.51 -17.63 62.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.087 -0.961 . . . . 25.0 113.269 -169.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -102.37 7.19 40.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.844 0.354 . . . . 25.0 110.602 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -126.78 156.85 40.58 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -141.28 130.41 23.39 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.548 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.2 m -68.21 145.96 53.82 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 122.099 -0.376 . . . . 25.0 110.087 -177.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -57.49 -46.82 83.3 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.173 1.175 . . . . 25.0 114.173 -174.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -31.35 68.88 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.467 0.576 . . . . 25.0 112.211 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -80.31 -24.67 39.78 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 121.202 0.525 . . . . 25.0 110.406 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD22 HG21 ' A' ' 69' ' ' VAL . 19.0 tp -66.52 -30.64 71.0 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.779 -0.576 . . . . 25.0 109.887 176.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -60.8 -31.67 71.05 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.276 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.09 -48.98 76.28 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.195 -0.669 . . . . 25.0 109.195 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.9 -46.61 88.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.729 0.776 . . . . 25.0 109.185 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.3 -31.27 72.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.431 -0.804 . . . . 25.0 111.77 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -81.84 -22.33 37.06 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.104 0.562 . . . . 25.0 111.678 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.6 m -94.79 -55.85 2.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.887 -0.597 . . . . 25.0 112.426 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -87.61 -44.62 11.09 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.363 0.601 . . . . 25.0 111.592 -176.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 tp -86.46 9.32 18.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.5 0.667 . . . . 25.0 110.321 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -38.75 23.49 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 115.308 1.596 . . . . 25.0 115.308 176.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.02 -40.16 84.16 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.345 -0.931 . . . . 25.0 111.043 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -68.16 -29.04 67.83 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 122.025 -0.691 . . . . 25.0 109.384 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.13 -42.58 69.02 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 109.484 -0.562 . . . . 25.0 109.484 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.01 -32.32 70.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.614 0.721 . . . . 25.0 111.402 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.51 20.25 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.174 -0.466 . . . . 25.0 109.796 -176.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -60.25 152.35 25.08 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -138.17 -47.26 0.53 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' HB2' ' HA ' ' A' ' 84' ' ' ALA . 15.9 m-20 -82.39 79.56 8.81 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.376 -1.342 . . . . 25.0 107.376 175.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.413 ' HA ' HG12 ' A' ' 54' ' ' VAL . 35.0 m -63.19 -24.46 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.243 -0.889 . . . . 25.0 111.512 -174.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.81 -37.97 87.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.292 0.567 . . . . 25.0 110.275 177.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.88 -40.44 22.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.82 -0.627 . . . . 25.0 112.589 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 51' ' ' VAL . 5.4 p -65.29 -37.97 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.584 0.707 . . . . 25.0 109.541 -175.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -77.71 -28.79 50.99 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.387 -0.824 . . . . 25.0 110.728 -175.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -60.96 -37.42 82.32 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 122.006 -0.434 . . . . 25.0 111.708 177.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.3 -42.24 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 122.188 0.994 . . . . 25.0 108.798 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.1 mmt -70.33 -48.41 56.62 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.148 -0.933 . . . . 25.0 111.859 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -35.66 81.7 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.473 -0.195 . . . . 25.0 110.473 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -60.33 -48.53 81.34 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.87 -19.68 51.35 Favored 'General case' 0 C--O 1.207 -1.136 0 C-N-CA 119.073 -1.051 . . . . 25.0 110.561 -174.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.61 -28.23 69.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.168 0.508 . . . . 25.0 110.935 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -104.1 -23.45 13.29 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.366 0.603 . . . . 25.0 110.973 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -95.8 18.58 12.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.917 0.865 . . . . 25.0 109.444 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.73 24.97 3.05 Favored Glycine 0 C--O 1.212 -1.244 0 CA-C-N 115.362 -0.836 . . . . 25.0 112.961 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -115.78 -4.17 12.16 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 122.68 -0.306 . . . . 25.0 111.608 168.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.09 -158.1 32.75 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 109.247 -1.541 . . . . 25.0 109.247 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 14.1 pt-20 -151.69 159.51 43.97 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 113.459 -1.371 . . . . 25.0 110.087 -174.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.42 HG21 HD22 ' A' ' 33' ' ' LEU . 6.4 m -133.95 173.2 15.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.529 -0.76 . . . . 25.0 110.381 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -124.26 -174.36 2.99 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 105.731 -1.952 . . . . 25.0 105.731 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -52.8 -48.12 67.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.697 0.999 . . . . 25.0 113.697 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.2 tt0 -55.25 -45.64 76.06 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.173 0.442 . . . . 25.0 111.426 -177.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -40.67 69.26 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 122.079 0.942 . . . . 25.0 110.005 -175.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -38.84 83.68 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.304 -0.862 . . . . 25.0 109.85 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.443 HG11 ' HB2' ' B' ' 79' ' ' ALA . 78.1 t -71.79 -36.23 57.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 121.215 -0.194 . . . . 25.0 110.725 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 72' ' ' GLN . 78.4 t -58.16 -46.56 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 177.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.12 -36.16 74.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.892 -0.594 . . . . 25.0 111.05 -177.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.2 t -63.48 -45.23 98.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.59 90.9 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 122.092 -0.38 . . . . 25.0 110.124 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.42 97.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.289 0.566 . . . . 25.0 111.033 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 tt -70.92 -35.72 72.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.226 0.536 . . . . 25.0 109.811 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.3 m -61.56 -48.91 78.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.99 -0.444 . . . . 25.0 111.127 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.539 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.5 m -62.11 -23.78 32.73 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 N-CA-C 113.581 0.956 . . . . 25.0 113.581 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HA ' ' HB2' ' A' ' 50' ' ' ASP . . . -58.01 -4.43 0.33 Allowed 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 113.805 1.039 . . . . 25.0 113.805 172.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -66.29 -15.81 63.52 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.535 1.309 . . . . 25.0 114.535 -172.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -53.23 -20.94 4.59 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.609 0.966 . . . . 25.0 113.609 177.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -50.83 -20.74 1.38 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.322 1.23 . . . . 25.0 114.322 178.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -54.35 -37.21 64.67 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.265 0.555 . . . . 25.0 110.326 173.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -110.61 -0.87 17.07 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.982 -0.553 . . . . 25.0 112.123 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -127.9 103.39 7.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.441 1.115 . . . . 25.0 110.652 -176.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -94.53 101.37 13.26 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.776 -1.102 . . . . 25.0 108.757 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.246 0.878 0 N-CA-C 106.681 -1.6 . . . . 25.0 106.681 178.768 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.575 0 CA-C-O 119.233 -0.759 . . . . 25.0 111.865 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.52 175.89 1.65 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 117.63 0.715 . . . . 25.0 109.242 172.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.05 -43.29 95.49 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.392 0.615 . . . . 25.0 111.56 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.424 HD12 HG11 ' A' ' 14' ' ' VAL . 3.2 tt -65.54 -40.66 93.13 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 122.008 0.908 . . . . 25.0 109.14 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -67.88 -35.54 78.69 Favored 'General case' 0 C--N 1.313 -0.988 0 O-C-N 121.509 -0.744 . . . . 25.0 111.36 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 p -71.73 -27.98 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.503 -0.479 . . . . 25.0 109.881 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.1 82.22 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 174.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.6 mmm -70.93 -33.47 70.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -69.47 -27.3 65.11 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.8 m -65.49 -44.05 88.28 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 110.05 -0.352 . . . . 25.0 110.05 171.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.38 -36.36 77.89 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.392 -0.595 . . . . 25.0 109.392 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.89 -47.94 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.28 -48.5 80.26 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.379 0.609 . . . . 25.0 110.721 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.414 HG11 HD12 ' A' ' 4' ' ' LEU . 72.5 t -63.29 -43.59 98.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.431 -0.804 . . . . 25.0 111.744 -178.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -61.66 -46.77 88.33 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.593 -0.692 . . . . 25.0 109.527 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -61.95 -25.36 67.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.461 -0.791 . . . . 25.0 112.775 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.14 99.36 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.373 0.509 . . . . 25.0 112.373 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -95.51 -21.53 18.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.791 0.329 . . . . 25.0 111.269 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.6 t -59.76 150.07 29.09 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.211 0.605 . . . . 25.0 112.139 -176.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.2 18.53 28.64 Favored Glycine 0 C--O 1.228 -0.281 0 N-CA-C 115.907 1.123 . . . . 25.0 115.907 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -67.73 -36.35 80.43 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.114 0.957 . . . . 25.0 109.687 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -88.11 -11.24 47.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.057 -0.974 . . . . 25.0 113.245 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.01 -30.0 6.28 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 115.884 1.114 . . . . 25.0 115.884 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -83.17 120.15 25.43 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 106.013 -1.847 . . . . 25.0 106.013 174.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -68.32 -19.21 64.65 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.441 0.904 . . . . 25.0 113.441 -167.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -109.09 15.16 23.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.63 0.233 . . . . 25.0 111.63 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -125.16 151.87 45.22 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -142.32 135.73 28.99 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.95 150.94 47.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -59.96 -42.97 95.27 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 113.257 0.836 . . . . 25.0 113.257 -176.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -29.39 69.95 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.29 0.95 . . . . 25.0 110.405 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.03 -24.02 47.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.479 -0.782 . . . . 25.0 109.479 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.46 HD22 HG21 ' B' ' 69' ' ' VAL . 22.7 tp -70.02 -36.7 75.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.898 -0.501 . . . . 25.0 109.794 175.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.556 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.9 ttpt -58.78 -33.34 70.21 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 116.485 -0.325 . . . . 25.0 110.42 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.56 -47.87 83.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.58 -45.41 94.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.353 0.597 . . . . 25.0 109.423 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mp -64.19 -30.08 71.16 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 121.455 0.645 . . . . 25.0 111.295 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -81.54 -22.69 37.72 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.993 -0.442 . . . . 25.0 111.032 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 41.3 m -93.72 -61.63 1.51 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.638 -0.71 . . . . 25.0 111.622 -177.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -83.19 -44.65 14.8 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.412 0.625 . . . . 25.0 111.796 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.447 HD13 HD22 ' A' ' 4' ' ' LEU . 12.4 tp -83.79 9.94 10.72 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.057 0.456 . . . . 25.0 110.041 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -50.03 -39.59 42.23 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 175.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.5 -31.56 74.0 Favored Glycine 0 C--O 1.225 -0.429 0 C-N-CA 119.991 -1.1 . . . . 25.0 111.84 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -78.26 -22.37 48.46 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.865 -0.785 . . . . 25.0 110.087 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.34 -39.16 48.58 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.99 -32.62 73.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.816 0.817 . . . . 25.0 111.795 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.56 12.72 17.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 25.0 111.099 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.72 151.4 14.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.198 0.523 . . . . 25.0 112.343 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -133.48 -44.34 0.83 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -81.13 88.56 5.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.486 0.66 . . . . 25.0 109.824 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.1 m -67.24 -22.8 29.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.585 -0.734 . . . . 25.0 111.607 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -77.98 -44.28 27.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.132 0.491 . . . . 25.0 110.107 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.44 -39.29 62.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.506 -0.316 . . . . 25.0 111.803 -177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.68 -38.62 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 -177.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -80.13 -30.33 39.01 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 116.07 -0.514 . . . . 25.0 110.904 -175.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -58.37 -42.04 86.12 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.484 -0.325 . . . . 25.0 111.724 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.57 -40.18 81.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.975 0.893 . . . . 25.0 108.659 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.8 mmt -69.36 -49.56 54.44 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 115.537 -0.756 . . . . 25.0 112.148 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -36.43 83.79 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.976 -0.29 . . . . 25.0 110.441 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.01 -45.4 94.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 177.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -78.26 -22.37 48.42 Favored 'General case' 0 C--O 1.206 -1.187 0 C-N-CA 119.006 -1.078 . . . . 25.0 110.806 -176.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.24 -27.14 68.23 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.087 -0.383 . . . . 25.0 111.659 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -104.7 -22.62 13.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.475 0.655 . . . . 25.0 111.071 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -96.36 14.43 24.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.53 0.681 . . . . 25.0 109.358 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.65 -22.19 63.71 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 115.391 0.917 . . . . 25.0 115.391 -170.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.33 4.43 50.81 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.723 0.773 . . . . 25.0 110.45 -174.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.87 -156.3 31.27 Favored Glycine 0 N--CA 1.419 -2.485 0 N-CA-C 103.825 -3.71 . . . . 25.0 103.825 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -153.36 169.34 23.34 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.861 -0.788 . . . . 25.0 110.401 -173.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.46 HG21 HD22 ' B' ' 33' ' ' LEU . 3.3 m -139.37 170.64 15.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.012 -0.995 . . . . 25.0 109.806 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.05 -174.29 3.22 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 104.955 -2.239 . . . . 25.0 104.955 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -53.11 -48.11 68.08 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 113.094 0.775 . . . . 25.0 113.094 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.539 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.5 tt0 -54.93 -45.03 74.78 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.289 0.495 . . . . 25.0 111.135 -177.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.73 -49.12 61.41 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.425 1.107 . . . . 25.0 108.756 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.407 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -57.36 -39.98 77.1 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.466 -1.243 . . . . 25.0 111.21 -175.363 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 81.2 t -70.66 -37.18 68.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.647 0.261 . . . . 25.0 110.855 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.456 HG22 HG22 ' A' ' 76' ' ' VAL . 53.6 t -61.83 -43.72 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.166 0.508 . . . . 25.0 109.783 177.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.8 mt -69.13 -37.0 78.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.337 0.589 . . . . 25.0 110.494 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 10.9 t -62.76 -43.09 98.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.443 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -67.11 -36.78 82.65 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.001 -0.437 . . . . 25.0 111.362 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.64 97.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.621 0.724 . . . . 25.0 109.776 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.66 -33.24 70.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.42 0.629 . . . . 25.0 110.155 177.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -63.92 -44.82 91.78 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.112 -0.367 . . . . 25.0 111.273 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.505 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.9 m -69.62 -23.64 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.673 -0.642 . . . . 25.0 111.881 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.86 0.62 1.7 Allowed 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 121.477 0.656 . . . . 25.0 112.078 171.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -86.95 -13.99 43.08 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.559 1.944 . . . . 25.0 110.177 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -48.71 -20.92 0.52 Allowed 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 114.261 -1.336 . . . . 25.0 114.547 -174.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -56.68 -22.89 38.1 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -67.42 -33.3 74.89 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.05 -0.407 . . . . 25.0 111.076 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -102.48 -14.71 16.72 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 121.902 0.858 . . . . 25.0 113.262 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -133.4 103.34 5.91 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.378 -1.283 . . . . 25.0 108.447 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -87.35 88.91 7.81 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.625 -0.716 . . . . 25.0 110.503 -174.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.248 1.013 0 CA-C-O 117.014 -1.47 . . . . 25.0 107.58 179.27 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.491 0 CA-C-O 119.471 -0.627 . . . . 25.0 111.913 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.32 -179.44 0.8 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 117.399 0.599 . . . . 25.0 110.808 174.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -61.75 -46.49 89.4 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.393 0.616 . . . . 25.0 110.704 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.47 -39.92 94.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.875 0.845 . . . . 25.0 109.761 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -69.84 -36.07 75.27 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.846 -0.534 . . . . 25.0 112.258 -176.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 p -73.73 -29.66 62.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.15 87.29 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.1 mmm -70.57 -32.71 70.21 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.689 0.996 . . . . 25.0 113.689 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.45 -25.54 63.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.115 -0.698 . . . . 25.0 109.115 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -64.72 -42.4 95.26 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.118 -0.364 . . . . 25.0 110.159 170.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.25 -35.06 77.8 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.8 mt -67.17 -47.18 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.82 -51.16 70.72 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.26 0.552 . . . . 25.0 111.258 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.92 -34.42 64.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 CA-C-N 115.73 -0.668 . . . . 25.0 111.957 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.95 -43.08 99.76 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 120.989 -1.069 . . . . 25.0 109.665 171.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -66.93 -16.68 64.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.772 0.656 . . . . 25.0 112.772 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.87 79.06 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 121.191 -0.204 . . . . 25.0 111.189 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -102.82 -20.38 14.34 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.6 p -62.03 147.28 47.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.17 0.509 . . . . 25.0 109.751 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.55 -7.37 57.89 Favored Glycine 0 CA--C 1.508 -0.369 0 C-N-CA 120.518 -0.849 . . . . 25.0 111.852 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.55 -31.93 68.42 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.691 -0.485 . . . . 25.0 109.691 175.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -110.8 41.79 1.73 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 123.209 1.48 . . . . 25.0 114.864 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.44 -30.21 3.11 Favored Glycine 0 C--N 1.306 -1.121 0 N-CA-C 118.418 2.127 . . . . 25.0 118.418 171.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -103.52 123.17 46.42 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 176.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -70.98 -17.98 62.63 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -170.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -106.21 8.04 31.8 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 122.176 -0.327 . . . . 25.0 110.672 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.38 163.57 25.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.175 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.95 137.82 23.85 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.1 152.76 42.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.26 -0.275 . . . . 25.0 111.117 177.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -66.1 -43.4 87.38 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -30.47 71.04 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.063 0.847 . . . . 25.0 109.654 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -77.24 -23.49 51.29 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.123 -0.944 . . . . 25.0 110.276 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.496 HD11 ' HD1' ' A' ' 74' ' ' TYR . 27.0 tp -75.24 -31.27 60.77 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 121.67 -0.644 . . . . 25.0 110.536 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.694 ' HB2' HD11 ' A' ' 61' ' ' LEU . 33.7 ttpt -58.17 -35.5 71.65 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 120.059 -0.656 . . . . 25.0 109.894 176.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.9 -49.24 78.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.02 -44.75 96.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.464 0.649 . . . . 25.0 109.71 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.83 -30.58 71.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.845 -0.616 . . . . 25.0 111.974 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.59 -22.2 37.89 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 122.874 0.47 . . . . 25.0 111.118 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.5 m -95.22 -51.7 4.5 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 -175.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -91.68 -45.2 8.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.194 0.521 . . . . 25.0 112.138 -176.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.1 tp -85.49 8.7 18.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.824 0.821 . . . . 25.0 109.286 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.34 -39.14 21.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.657 1.725 . . . . 25.0 115.657 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.5 -38.6 79.51 Favored Glycine 0 N--CA 1.458 0.16 0 C-N-CA 120.371 -0.918 . . . . 25.0 110.97 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -69.38 -32.21 71.1 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -69.12 -44.12 73.04 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.724 0.64 . . . . 25.0 109.952 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.17 -32.85 74.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.733 0.777 . . . . 25.0 111.544 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.35 29.76 3.46 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 115.838 -0.619 . . . . 25.0 109.588 -176.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -62.88 155.81 26.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.32 -0.622 . . . . 25.0 109.32 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -132.28 -49.24 0.92 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.636 0.732 . . . . 25.0 109.265 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' HB2' ' HA ' ' A' ' 84' ' ' ALA . 22.6 m-20 -85.91 87.68 7.45 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.04 -0.982 . . . . 25.0 108.919 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -62.07 -27.92 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.627 -175.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.26 -37.56 83.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.521 0.677 . . . . 25.0 109.494 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.17 -27.98 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.837 0.68 . . . . 25.0 112.837 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.78 -39.61 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -80.26 -21.45 42.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.034 0.445 . . . . 25.0 111.564 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -53.52 -31.28 45.48 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.499 -0.773 . . . . 25.0 109.746 170.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.79 -48.31 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.278 0.561 . . . . 25.0 111.469 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.0 mmt -66.92 -53.65 29.89 Favored 'General case' 0 CA--C 1.487 -1.451 0 N-CA-C 112.824 0.676 . . . . 25.0 112.824 -172.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -34.78 78.54 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.477 -0.489 . . . . 25.0 109.94 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.31 -50.87 72.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -80.41 -19.66 45.7 Favored 'General case' 0 C--O 1.211 -0.94 0 C-N-CA 119.437 -0.905 . . . . 25.0 111.544 -173.185 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.38 -29.19 67.53 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.941 0.401 . . . . 25.0 111.471 -178.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -108.11 -22.28 12.45 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.257 0.551 . . . . 25.0 111.814 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -96.51 15.43 21.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.775 0.797 . . . . 25.0 109.87 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.6 -19.36 62.55 Favored Glycine 0 C--O 1.22 -0.762 0 N-CA-C 115.872 1.109 . . . . 25.0 115.872 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -92.05 5.4 50.36 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.722 0.773 . . . . 25.0 110.482 -171.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.32 -160.26 36.25 Favored Glycine 0 N--CA 1.417 -2.628 0 N-CA-C 103.627 -3.789 . . . . 25.0 103.627 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.41 163.26 40.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.09 -0.555 . . . . 25.0 109.854 -172.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -142.11 169.94 12.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.201 -0.908 . . . . 25.0 109.446 -175.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -119.61 -174.23 2.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.382 -1.71 . . . . 25.0 106.382 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -52.56 -47.54 66.73 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.533 ' HB2' HG11 ' B' ' 83' ' ' VAL . 59.5 tt0 -54.69 -47.02 74.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.497 0.59 . . . . 25.0 111.004 -178.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -79.62 -31.73 41.66 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-O 121.558 0.694 . . . . 25.0 109.9 -171.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.496 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -59.64 -41.47 90.6 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.493 -0.929 . . . . 25.0 108.493 175.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.1 t -71.34 -36.83 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.815 -0.175 . . . . 25.0 110.659 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.1 t -57.43 -44.99 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.0 mt -70.29 -37.74 74.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.707 0.289 . . . . 25.0 111.2 -178.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.86 -45.71 98.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.922 -0.399 . . . . 25.0 109.922 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.82 -36.77 80.96 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.002 -0.437 . . . . 25.0 110.612 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.71 92.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.253 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -71.27 -37.79 71.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.325 -0.621 . . . . 25.0 109.325 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.0 m -59.83 -41.7 91.93 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 112.293 0.479 . . . . 25.0 112.293 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' B' ' 72' ' ' GLN 0.303 27.5 m -67.58 -17.02 21.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 N-CA-C 114.462 1.282 . . . . 25.0 114.462 175.748 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 50' ' ' ASP . . . -64.45 -5.45 5.37 Favored 'General case' 0 CA--C 1.56 1.357 0 O-C-N 120.333 -1.479 . . . . 25.0 109.369 172.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -65.8 -33.05 74.96 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.8 -1.188 . . . . 25.0 111.257 -175.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -27.94 64.58 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.117 0.484 . . . . 25.0 111.794 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -62.88 -15.74 56.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -91.3 -7.0 52.28 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.685 -0.634 . . . . 25.0 111.053 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -109.45 -19.27 13.31 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-O 122.142 0.972 . . . . 25.0 111.015 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -152.45 130.19 11.61 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.311 -1.768 . . . . 25.0 108.105 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -94.77 78.45 3.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.316 0.579 . . . . 25.0 111.2 -176.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.1 m . . . . . 0 C--O 1.243 0.745 0 CA-C-O 117.148 -1.406 . . . . 25.0 108.547 178.379 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 119.408 -0.662 . . . . 25.0 111.698 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.84 175.53 2.41 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 117.378 0.589 . . . . 25.0 109.562 173.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.3 -44.58 95.29 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.799 0.727 . . . . 25.0 111.6 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.02 -39.54 93.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.81 0.815 . . . . 25.0 109.507 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -68.79 -37.94 79.64 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.806 -0.559 . . . . 25.0 111.727 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.3 p -71.3 -28.54 64.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.57 81.82 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.5 mmm -70.45 -31.85 69.18 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.21 -24.87 62.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.7 m -66.54 -42.24 87.48 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.1 -35.53 78.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.8 -47.51 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 177.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -58.45 -51.67 68.87 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.121 0.486 . . . . 25.0 111.403 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.56 -33.08 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.821 -0.627 . . . . 25.0 112.094 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -62.96 -45.0 94.51 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.186 -0.946 . . . . 25.0 109.097 171.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -66.42 -18.79 65.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.993 0.738 . . . . 25.0 112.993 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.67 80.01 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 122.319 -0.238 . . . . 25.0 110.895 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -101.72 -19.01 15.56 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.6 p -65.83 152.96 43.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 25.0 109.869 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.48 -7.36 42.81 Favored Glycine 0 C--O 1.223 -0.553 0 C-N-CA 120.878 -0.677 . . . . 25.0 112.935 -175.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -60.37 -34.57 74.08 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -71.23 -29.85 65.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.375 -1.284 . . . . 25.0 113.172 -176.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.02 -30.74 6.17 Favored Glycine 0 C--N 1.322 -0.204 0 N-CA-C 109.414 -1.475 . . . . 25.0 109.414 -174.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -90.74 127.27 36.26 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 104.692 -2.336 . . . . 25.0 104.692 171.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -72.7 -21.82 61.0 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 -170.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -104.5 14.13 30.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.074 0.464 . . . . 25.0 110.413 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -122.88 155.03 37.5 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.564 -0.744 . . . . 25.0 110.044 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.69 130.08 27.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 106.725 -1.583 . . . . 25.0 106.725 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -66.19 150.05 49.37 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 -178.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -64.31 -41.63 96.73 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 113.644 0.979 . . . . 25.0 113.644 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -29.11 70.19 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.758 -1.214 . . . . 25.0 109.729 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -81.33 -23.68 37.63 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.683 0.754 . . . . 25.0 109.83 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.418 HD11 ' HD1' ' B' ' 74' ' ' TYR . 10.4 tp -68.13 -36.48 79.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 173.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.678 ' HB2' HD11 ' B' ' 61' ' ' LEU . 31.7 ttpt -60.33 -35.2 75.09 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 120.412 -0.515 . . . . 25.0 110.208 178.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.53 -48.84 79.21 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.41 -46.2 89.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.616 0.722 . . . . 25.0 109.717 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.95 -31.32 72.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.072 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -81.75 -22.67 37.13 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 123.57 0.748 . . . . 25.0 111.001 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 58.5 m -94.36 -51.61 4.71 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -93.14 -45.28 7.96 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.301 0.572 . . . . 25.0 112.21 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.7 tp -84.23 8.37 16.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.855 0.836 . . . . 25.0 109.525 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -35.43 16.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 115.486 1.661 . . . . 25.0 115.486 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.8 -40.4 75.48 Favored Glycine 0 C--O 1.229 -0.19 0 C-N-CA 120.195 -1.002 . . . . 25.0 111.096 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -70.36 -31.41 68.66 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.977 -0.749 . . . . 25.0 108.977 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 26.1 tp -68.25 -45.17 73.94 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 123.232 0.613 . . . . 25.0 111.098 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.14 -35.57 81.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.499 -0.773 . . . . 25.0 111.025 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.8 30.23 3.08 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 116.012 -0.54 . . . . 25.0 109.994 -176.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.23 156.07 26.48 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -136.86 -52.69 0.69 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.61 0.243 . . . . 25.0 111.038 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -79.83 86.42 5.38 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.834 -1.173 . . . . 25.0 107.834 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.15 -27.96 44.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.163 -0.471 . . . . 25.0 111.848 -174.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -67.79 -36.04 79.74 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.89 -31.53 31.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.586 0.588 . . . . 25.0 112.586 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.24 -41.59 66.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.335 -0.617 . . . . 25.0 109.335 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -80.01 -22.12 42.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.938 0.399 . . . . 25.0 111.469 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -53.18 -33.64 53.49 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.855 -0.611 . . . . 25.0 109.899 171.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 50.6 t -88.01 -47.52 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.485 0.66 . . . . 25.0 111.317 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.3 mmt -69.34 -51.35 37.84 Favored 'General case' 0 CA--C 1.488 -1.414 0 N-CA-C 113.056 0.762 . . . . 25.0 113.056 -172.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -35.27 79.05 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.58 -0.448 . . . . 25.0 109.921 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -59.36 -50.51 73.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.296 -0.631 . . . . 25.0 109.296 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -79.15 -20.59 48.14 Favored 'General case' 0 C--O 1.208 -1.12 0 C-N-CA 119.221 -0.992 . . . . 25.0 111.083 -173.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.36 -28.3 68.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.981 0.42 . . . . 25.0 111.456 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -106.99 -22.44 12.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.463 0.649 . . . . 25.0 111.513 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -96.22 17.13 16.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.793 0.806 . . . . 25.0 109.538 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.39 -19.92 64.93 Favored Glycine 0 C--O 1.215 -1.048 0 N-CA-C 115.309 0.884 . . . . 25.0 115.309 -170.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -91.08 6.31 45.43 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.569 0.7 . . . . 25.0 110.605 -170.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.63 -158.18 34.16 Favored Glycine 0 N--CA 1.418 -2.544 0 N-CA-C 104.439 -3.464 . . . . 25.0 104.439 173.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 2.9 pp20? -151.07 163.96 37.56 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.047 -0.723 . . . . 25.0 109.047 -174.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 m -140.78 164.52 21.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 123.78 0.675 . . . . 25.0 109.381 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -114.62 -174.13 2.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -52.48 -48.26 66.02 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 112.846 0.684 . . . . 25.0 112.846 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.475 ' HB2' HG11 ' A' ' 83' ' ' VAL . 59.4 tt0 -53.96 -48.35 70.41 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 118.442 0.565 . . . . 25.0 110.492 -177.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -74.22 -40.96 62.09 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.382 0.611 . . . . 25.0 109.44 -171.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.418 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -56.07 -41.35 74.98 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.803 -0.635 . . . . 25.0 109.958 178.531 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.91 -38.16 63.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 122.11 -0.369 . . . . 25.0 111.14 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.412 HG22 HG22 ' A' ' 76' ' ' VAL . 54.8 t -58.89 -43.52 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 177.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.59 -35.53 73.06 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.878 0.37 . . . . 25.0 111.111 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -64.05 -44.21 97.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.53 79.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.873 -0.517 . . . . 25.0 110.852 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.18 86.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.112 0.482 . . . . 25.0 110.625 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 tt -72.91 -35.47 67.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.323 0.583 . . . . 25.0 109.945 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.8 m -63.14 -43.79 97.36 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.297 -0.41 . . . . 25.0 111.274 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.533 HG11 ' HB2' ' A' ' 72' ' ' GLN . 24.6 m -66.24 -23.82 32.49 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 177.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.55 -5.4 1.2 Allowed 'General case' 0 CA--C 1.548 0.88 0 CA-C-O 121.73 0.776 . . . . 25.0 112.396 172.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -15.8 59.29 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.647 -1.283 . . . . 25.0 111.69 -178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -43.24 -34.07 1.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 115.178 1.547 . . . . 25.0 115.178 -175.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -56.53 -20.85 22.53 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 114.464 1.283 . . . . 25.0 114.464 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -67.62 -23.87 65.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 112.024 0.379 . . . . 25.0 112.024 175.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -124.05 -21.19 5.12 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 115.784 1.772 . . . . 25.0 115.784 -174.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -161.44 131.55 4.93 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.498 -1.228 . . . . 25.0 109.374 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.83 77.97 4.78 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.396 -0.815 . . . . 25.0 109.459 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.248 0.976 0 CA-C-O 117.935 -1.031 . . . . 25.0 111.277 177.749 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.561 0 CA-C-O 119.05 -0.861 . . . . 25.0 111.533 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -65.79 177.3 1.31 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.35 0.575 . . . . 25.0 110.636 174.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.45 -45.11 95.65 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.24 0.543 . . . . 25.0 110.699 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.434 HD22 HD13 ' B' ' 41' ' ' LEU . 2.3 tt -66.45 -41.34 89.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.548 0.689 . . . . 25.0 110.178 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -64.53 -36.51 84.44 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.605 -0.684 . . . . 25.0 111.384 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -75.41 -28.65 59.49 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.596 -0.441 . . . . 25.0 110.256 177.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.9 99.81 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 173.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.7 mmm -72.74 -33.69 66.54 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.7 -28.06 67.35 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.0 m -64.22 -43.0 96.31 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.421 -0.354 . . . . 25.0 111.207 173.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.76 -37.89 83.38 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.92 -46.26 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.3 -44.45 88.53 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 120.9 0.381 . . . . 25.0 112.007 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.538 HG11 HD12 ' B' ' 4' ' ' LEU . 87.0 t -67.17 -43.48 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.279 -0.418 . . . . 25.0 111.187 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -59.99 -43.57 95.07 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.656 -0.652 . . . . 25.0 110.062 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -69.03 -19.17 64.11 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 -176.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.31 -29.78 69.44 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 122.157 -0.339 . . . . 25.0 111.455 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -109.18 -11.3 14.92 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.862 0.689 . . . . 25.0 112.862 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.9 p -67.02 165.82 14.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.421 0.629 . . . . 25.0 111.995 -175.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.01 -8.94 36.56 Favored Glycine 0 C--O 1.222 -0.634 0 C-N-CA 121.105 -0.569 . . . . 25.0 112.216 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -64.25 -29.52 70.61 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 120.785 0.326 . . . . 25.0 111.665 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -76.31 -25.63 54.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.677 0.751 . . . . 25.0 110.276 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.57 -28.63 5.67 Favored Glycine 0 C--O 1.227 -0.314 0 N-CA-C 110.359 -1.096 . . . . 25.0 110.359 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -101.28 147.34 26.41 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.768 0.794 . . . . 25.0 112.628 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -62.37 -27.08 68.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 116.011 1.856 . . . . 25.0 116.011 -176.004 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -106.18 15.63 26.01 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.955 -0.465 . . . . 25.0 110.903 -175.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -130.25 146.3 51.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -174.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -140.88 133.53 28.73 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 109.314 -0.624 . . . . 25.0 109.314 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 3.3 m -69.5 147.39 50.92 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.982 -0.449 . . . . 25.0 111.457 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 -175.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -30.34 53.66 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.913 0.709 . . . . 25.0 112.913 176.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -79.85 -30.26 40.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.408 0.623 . . . . 25.0 110.436 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.446 HD22 HG21 ' A' ' 69' ' ' VAL . 15.3 tp -62.95 -29.43 70.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.165 -0.47 . . . . 25.0 111.002 176.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.518 ' HB2' HD11 ' A' ' 61' ' ' LEU . 35.6 ttpt -61.43 -34.84 76.08 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 120.644 -0.422 . . . . 25.0 110.603 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.29 -45.43 84.43 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.19 -47.1 87.39 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.72 -32.82 73.07 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 121.412 0.625 . . . . 25.0 111.578 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -81.94 -17.59 46.51 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 123.386 0.675 . . . . 25.0 112.048 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -105.26 -51.0 3.1 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.924 0.712 . . . . 25.0 112.924 -175.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -89.27 -17.68 28.52 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.495 0.664 . . . . 25.0 110.195 -174.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -119.7 12.31 12.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.0 -1.0 . . . . 25.0 110.715 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -31.74 7.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 172.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.32 -34.1 46.78 Favored Glycine 0 C--O 1.225 -0.439 0 C-N-CA 120.515 -0.85 . . . . 25.0 111.395 -177.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -76.32 -27.87 56.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -40.15 76.7 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 109.588 -0.523 . . . . 25.0 109.588 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -68.0 -31.16 70.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.898 0.856 . . . . 25.0 110.307 176.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.49 18.39 11.39 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.577 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.88 151.2 35.26 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -133.1 -44.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -84.55 85.97 7.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 m -63.54 -23.82 34.28 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 115.193 -0.912 . . . . 25.0 111.142 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.01 -39.39 63.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.978 0.418 . . . . 25.0 110.779 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.42 -38.37 49.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.206 0.447 . . . . 25.0 112.206 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -63.6 -37.02 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -76.4 -29.57 57.15 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 115.138 -0.937 . . . . 25.0 111.15 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -38.57 86.23 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.822 -0.351 . . . . 25.0 110.802 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.78 -43.64 79.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 122.041 0.924 . . . . 25.0 109.435 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -69.67 -47.7 62.37 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.464 -0.789 . . . . 25.0 112.237 -174.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -37.48 87.72 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.67 -48.61 80.48 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.347 -0.541 . . . . 25.0 109.69 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -78.01 -20.89 51.65 Favored 'General case' 0 C--O 1.209 -1.071 0 C-N-CA 119.043 -1.063 . . . . 25.0 110.356 -174.609 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.68 -26.8 66.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.208 0.527 . . . . 25.0 110.13 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -95.15 -29.23 14.65 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.828 0.823 . . . . 25.0 109.453 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -94.83 25.26 4.19 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.261 -0.882 . . . . 25.0 109.148 177.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.64 18.27 4.83 Favored Glycine 0 C--O 1.216 -0.971 0 CA-C-N 115.815 -0.63 . . . . 25.0 113.381 -176.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -116.76 -3.82 11.68 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.091 0.472 . . . . 25.0 110.104 168.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.98 -156.3 32.61 Favored Glycine 0 N--CA 1.436 -1.362 0 CA-C-O 122.759 1.199 . . . . 25.0 110.52 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -153.93 170.7 20.42 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 113.853 -1.174 . . . . 25.0 110.257 -170.04 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.446 HG21 HD22 ' A' ' 33' ' ' LEU . 2.7 m -144.3 168.92 10.01 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 O-C-N 124.473 1.108 . . . . 25.0 109.559 176.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -121.94 -174.08 2.8 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 104.927 -2.249 . . . . 25.0 104.927 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -54.03 -47.0 72.03 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.494 ' HB2' HG11 ' B' ' 83' ' ' VAL . 60.2 tt0 -55.77 -46.4 77.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.179 0.445 . . . . 25.0 111.155 -177.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -74.5 -37.19 63.19 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.679 0.752 . . . . 25.0 109.911 -173.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -41.24 87.14 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 178.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.92 -35.83 55.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 122.141 -0.35 . . . . 25.0 111.439 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.7 t -57.76 -46.07 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.2 mt -70.32 -36.53 74.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.2 -0.454 . . . . 25.0 110.863 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.6 t -62.85 -44.5 99.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.651 -0.5 . . . . 25.0 109.651 176.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.63 91.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.037 -0.414 . . . . 25.0 110.207 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.8 -43.18 97.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.263 0.554 . . . . 25.0 110.587 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 tt -67.4 -37.01 82.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.425 0.631 . . . . 25.0 109.424 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.7 m -63.34 -43.44 97.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.481 . . . . 25.0 111.797 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.492 HG11 ' HB2' ' B' ' 72' ' ' GLN . 25.4 m -71.03 -23.94 23.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 120.549 -1.344 . . . . 25.0 112.108 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.74 -17.4 64.84 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.51 0.672 . . . . 25.0 111.021 174.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.408 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 79.0 m-20 -102.96 -15.45 16.13 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.006 -1.059 . . . . 25.0 111.998 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -58.83 -20.78 53.57 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.795 0.807 . . . . 25.0 110.772 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -57.56 -16.1 9.15 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 114.256 1.206 . . . . 25.0 114.256 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -73.11 -11.23 60.47 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.567 -0.708 . . . . 25.0 111.805 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -95.77 11.88 31.98 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.663 0.385 . . . . 25.0 110.345 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -129.71 127.31 40.21 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 106.338 -1.727 . . . . 25.0 106.338 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.84 77.92 9.63 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.273 0.559 . . . . 25.0 110.167 -176.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.207 -0.901 . . . . 25.0 110.295 177.084 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 CA-C-O 119.085 -0.842 . . . . 25.0 111.525 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -64.68 173.01 2.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.471 0.635 . . . . 25.0 110.048 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.5 -41.78 95.03 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.014 0.435 . . . . 25.0 110.552 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.538 HD12 HG11 ' A' ' 14' ' ' VAL . 4.0 tt -64.72 -42.66 95.09 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.961 0.886 . . . . 25.0 110.246 177.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.54 -34.94 79.02 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.436 -0.79 . . . . 25.0 112.109 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.4 p -75.57 -26.91 58.32 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.524 -0.47 . . . . 25.0 110.076 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.01 95.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 85.3 mmm -69.82 -33.97 73.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.39 -27.83 65.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.806 -0.758 . . . . 25.0 109.613 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 46.0 m -64.65 -43.41 93.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 25.0 110.323 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -36.42 78.18 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 99.1 mt -64.3 -46.44 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -60.07 -47.29 86.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.708 0.289 . . . . 25.0 111.479 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.87 -44.16 98.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.34 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -60.57 -48.01 83.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.448 0.642 . . . . 25.0 110.597 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -69.64 -19.7 63.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -173.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.68 95.56 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.655 0.264 . . . . 25.0 111.461 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -93.37 -18.09 22.79 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.513 0.197 . . . . 25.0 111.392 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.3 m -59.65 149.23 31.07 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.89 11.37 53.41 Favored Glycine 0 CA--C 1.512 -0.129 0 N-CA-C 115.474 0.95 . . . . 25.0 115.474 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -63.08 -34.7 78.15 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.057 0.928 . . . . 25.0 109.436 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -89.61 -4.98 57.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.818 -1.083 . . . . 25.0 113.528 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.97 -31.0 9.2 Favored Glycine 0 N--CA 1.463 0.498 0 CA-C-O 119.84 -0.422 . . . . 25.0 113.599 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -80.28 110.19 15.48 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 105.032 -2.21 . . . . 25.0 105.032 173.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -73.38 -21.64 60.46 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.964 1.098 . . . . 25.0 113.964 -167.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -96.47 4.86 51.84 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 -176.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -117.22 162.8 17.28 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.628 0.771 . . . . 25.0 110.93 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.53 131.11 25.5 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 173.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 1.8 m -66.23 150.22 49.14 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.632 -0.427 . . . . 25.0 111.333 -175.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -61.03 -41.66 96.99 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.857 0.688 . . . . 25.0 112.857 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -30.25 71.01 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.639 1.109 . . . . 25.0 111.177 178.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -79.33 -23.49 43.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.583 0.706 . . . . 25.0 109.563 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.469 HD11 ' HD1' ' B' ' 74' ' ' TYR . 17.3 tp -64.4 -33.25 75.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.431 ' HB2' HD11 ' B' ' 61' ' ' LEU . 32.3 ttpt -63.09 -36.66 84.34 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 116.29 -0.413 . . . . 25.0 110.281 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.55 -47.21 84.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.66 -46.0 92.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.95 -0.568 . . . . 25.0 110.192 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.34 -28.93 69.64 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 121.236 0.541 . . . . 25.0 111.548 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -81.99 -18.69 42.48 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 122.728 0.411 . . . . 25.0 110.187 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 39.4 m -96.98 -51.71 4.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -100.69 -23.0 14.73 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 114.299 1.222 . . . . 25.0 114.299 -173.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.434 HD13 HD22 ' A' ' 4' ' ' LEU . 11.9 tp -104.92 11.13 33.93 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 176.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -38.63 25.06 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 115.483 1.66 . . . . 25.0 115.483 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.68 -31.22 67.81 Favored Glycine 0 C--N 1.322 -0.195 0 O-C-N 121.447 -0.783 . . . . 25.0 112.366 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -74.96 -24.91 58.54 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.616 -0.883 . . . . 25.0 108.616 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.76 -40.05 34.43 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.215 -0.448 . . . . 25.0 111.242 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.94 -34.96 79.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.709 0.766 . . . . 25.0 110.349 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.54 27.99 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.458 -0.792 . . . . 25.0 110.59 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -61.21 150.03 35.75 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.971 -0.752 . . . . 25.0 108.971 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -133.24 -50.71 0.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.187 0.518 . . . . 25.0 110.052 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -81.14 83.86 6.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.27 -1.011 . . . . 25.0 108.27 175.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 28.9 m -64.2 -30.35 49.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 25.0 111.361 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.49 -32.17 71.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.352 0.596 . . . . 25.0 110.263 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.22 -39.5 23.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.249 -0.432 . . . . 25.0 111.263 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 p -69.52 -40.0 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 -175.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -77.17 -27.22 53.66 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.306 -0.406 . . . . 25.0 110.856 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -55.28 -44.71 75.91 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 110.107 -0.331 . . . . 25.0 110.107 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.0 t -71.66 -41.6 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.601 0.715 . . . . 25.0 109.565 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.1 mmt -68.99 -47.96 64.27 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-N 115.949 -0.569 . . . . 25.0 112.49 -175.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -36.58 82.13 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.829 -0.348 . . . . 25.0 110.226 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -62.82 -42.9 99.92 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.082 -0.647 . . . . 25.0 110.148 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.55 -21.17 52.97 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 119.769 -0.772 . . . . 25.0 110.271 -178.24 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.52 -27.37 69.1 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.066 0.46 . . . . 25.0 110.462 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -102.97 -25.39 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.409 0.623 . . . . 25.0 111.301 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -97.25 10.45 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.425 0.631 . . . . 25.0 112.196 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.77 -17.33 60.35 Favored Glycine 0 C--O 1.22 -0.746 0 N-CA-C 116.59 1.396 . . . . 25.0 116.59 -169.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -82.89 -7.86 59.62 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.495 0.664 . . . . 25.0 110.453 -172.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.92 -162.91 37.13 Favored Glycine 0 N--CA 1.42 -2.382 0 N-CA-C 106.388 -2.685 . . . . 25.0 106.388 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 3.8 pm0 -143.46 166.76 23.89 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.527 -0.836 . . . . 25.0 110.277 -175.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.04 167.56 25.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 175.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -120.31 -174.1 2.71 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 104.509 -2.404 . . . . 25.0 104.509 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -52.7 -47.58 67.17 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 113.194 0.813 . . . . 25.0 113.194 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.492 ' HB2' HG11 ' A' ' 83' ' ' VAL . 62.3 tt0 -55.53 -48.7 74.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.356 0.525 . . . . 25.0 111.044 -176.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -72.09 -41.54 67.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.722 0.772 . . . . 25.0 109.652 -173.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.469 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -58.86 -40.92 85.75 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.499 -0.773 . . . . 25.0 110.419 -179.444 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 79.0 t -71.18 -36.68 63.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 122.261 -0.275 . . . . 25.0 111.014 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.89 -44.2 93.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.195 0.521 . . . . 25.0 109.683 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.35 -35.71 73.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.084 0.469 . . . . 25.0 111.035 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.7 t -63.36 -42.91 98.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.24 -0.652 . . . . 25.0 109.24 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.58 85.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.944 -0.472 . . . . 25.0 110.724 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.89 -39.4 94.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.496 0.665 . . . . 25.0 110.105 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.14 -32.57 69.13 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.916 -0.49 . . . . 25.0 110.025 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.5 m -65.05 -43.24 92.94 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.994 -0.441 . . . . 25.0 110.85 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.494 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.2 m -71.48 -19.34 20.54 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 O-C-N 121.362 -0.836 . . . . 25.0 111.67 178.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.91 0.74 2.28 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 122.047 0.927 . . . . 25.0 112.422 170.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.38 -25.18 59.34 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.917 1.821 . . . . 25.0 115.917 -172.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -67.33 -20.82 65.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.636 0.731 . . . . 25.0 110.385 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -15.78 60.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.396 0.887 . . . . 25.0 113.396 176.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -68.11 9.64 0.29 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.646 1.35 . . . . 25.0 114.646 -175.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 82.7 m95 -97.7 4.24 50.04 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.809 -0.811 . . . . 25.0 108.809 -177.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -148.33 160.35 43.08 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 100.932 -3.729 . . . . 25.0 100.932 173.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -85.67 78.18 9.65 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.15 0.5 . . . . 25.0 109.823 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.248 0.988 0 CA-C-O 117.487 -1.244 . . . . 25.0 108.715 179.014 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.393 0 CA-C-O 118.867 -0.963 . . . . 25.0 111.44 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -65.71 175.63 1.82 Allowed 'General case' 0 C--O 1.236 0.394 0 CA-C-N 117.564 0.682 . . . . 25.0 110.226 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.4 -43.42 98.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.803 0.335 . . . . 25.0 110.315 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.432 HD12 HG11 ' B' ' 14' ' ' VAL . 2.6 tt -63.72 -41.83 98.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.904 0.859 . . . . 25.0 110.444 177.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.32 -35.01 79.27 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.297 -0.877 . . . . 25.0 112.259 -175.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.2 p -76.42 -26.51 55.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.591 -0.444 . . . . 25.0 109.861 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.85 92.55 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 172.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.2 mmm -70.26 -32.86 70.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.731 1.012 . . . . 25.0 113.731 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -68.87 -27.66 66.01 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 119.806 -0.758 . . . . 25.0 109.345 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.5 m -64.23 -42.09 96.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.876 0.369 . . . . 25.0 110.155 172.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.83 -34.98 78.45 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.9 mt -67.1 -47.62 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -58.37 -47.26 84.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 25.0 111.796 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -73.59 -34.28 41.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.559 -0.291 . . . . 25.0 111.45 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.02 -45.45 92.74 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.187 -0.945 . . . . 25.0 108.911 171.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -65.37 -19.06 65.78 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.583 -0.735 . . . . 25.0 112.908 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.39 76.33 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.45 -0.781 . . . . 25.0 111.241 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -95.36 -12.67 25.66 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.444 ' HA ' HD13 ' A' ' 28' ' ' LEU . 92.8 p -66.73 173.25 3.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.149 0.5 . . . . 25.0 112.25 -177.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.55 -2.08 57.25 Favored Glycine 0 C--O 1.22 -0.733 0 C-N-CA 120.46 -0.876 . . . . 25.0 114.617 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -28.59 69.51 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 117.599 0.7 . . . . 25.0 109.971 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.87 -29.75 58.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.879 0.847 . . . . 25.0 111.421 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.91 -30.76 5.76 Favored Glycine 0 C--O 1.228 -0.226 0 N-CA-C 109.546 -1.422 . . . . 25.0 109.546 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -90.52 137.31 32.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 105.603 -1.999 . . . . 25.0 105.603 172.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -89.86 -8.0 52.98 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 113.64 0.978 . . . . 25.0 113.64 -172.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -103.18 15.41 29.32 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -133.73 153.75 51.47 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 114.829 -1.078 . . . . 25.0 111.212 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 19' ' ' SER . 10.3 tp -149.36 135.59 19.1 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.4 m -66.43 147.9 52.64 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.995 -0.441 . . . . 25.0 111.059 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -59.88 -48.77 80.35 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.895 1.072 . . . . 25.0 113.895 -174.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -32.45 66.02 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 176.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.19 -24.96 54.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.982 0.42 . . . . 25.0 111.025 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.06 -25.18 64.32 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.769 -0.582 . . . . 25.0 110.72 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HB2' HD11 ' A' ' 61' ' ' LEU . 33.1 ttpt -62.27 -32.57 73.3 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 120.288 -0.565 . . . . 25.0 109.824 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.09 -48.82 76.98 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.53 -46.16 91.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.82 -31.61 72.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.281 0.563 . . . . 25.0 111.57 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.9 -22.05 37.04 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.24 0.616 . . . . 25.0 112.08 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 m -100.34 -51.51 3.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -175.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -94.01 -26.92 16.59 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.441 HD13 HD22 ' B' ' 4' ' ' LEU . 15.3 tp -104.07 11.38 35.31 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.629 -1.249 . . . . 25.0 107.629 176.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -48.79 -40.93 30.83 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 116.078 1.881 . . . . 25.0 116.078 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.83 -37.12 75.2 Favored Glycine 0 C--O 1.229 -0.218 0 C-N-CA 120.401 -0.904 . . . . 25.0 110.927 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -69.12 -31.76 70.69 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.959 -0.73 . . . . 25.0 109.036 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.22 -40.96 74.23 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 123.355 0.41 . . . . 25.0 110.598 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.95 -35.54 80.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.669 0.747 . . . . 25.0 110.828 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.65 30.96 2.43 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.829 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -63.82 159.57 19.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.011 -0.54 . . . . 25.0 109.752 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -133.14 -53.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.484 0.659 . . . . 25.0 110.546 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -83.15 84.1 7.61 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.85 -25.1 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.943 -1.026 . . . . 25.0 112.407 -174.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.06 -43.98 70.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.34 0.591 . . . . 25.0 109.622 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.04 64.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.93 -175.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.58 -38.64 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -80.42 -30.47 37.69 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.264 -0.425 . . . . 25.0 111.152 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -35.47 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.967 -0.458 . . . . 25.0 110.243 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.5 t -72.64 -42.97 62.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 mmt -69.16 -47.83 63.92 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 116.176 -0.465 . . . . 25.0 111.951 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -36.0 82.4 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.45 -0.204 . . . . 25.0 110.45 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -61.39 -46.61 89.45 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.071 -0.652 . . . . 25.0 109.531 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -77.09 -21.45 54.3 Favored 'General case' 0 C--O 1.208 -1.108 0 C-N-CA 119.314 -0.954 . . . . 25.0 110.083 -175.286 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.43 -28.13 69.77 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.223 0.535 . . . . 25.0 110.593 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -102.24 -22.85 14.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.497 0.665 . . . . 25.0 110.627 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -95.26 18.04 13.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.39 23.99 2.7 Favored Glycine 0 C--O 1.218 -0.844 0 CA-C-N 115.721 -0.672 . . . . 25.0 113.5 -176.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.85 -10.72 11.65 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 120.734 0.302 . . . . 25.0 110.685 170.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.12 -155.66 31.89 Favored Glycine 0 N--CA 1.436 -1.356 0 CA-C-O 122.896 1.276 . . . . 25.0 111.53 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.3 pt-20 -153.88 162.76 40.96 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 113.747 -1.227 . . . . 25.0 110.039 -170.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 m -142.6 168.64 13.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 123.799 0.687 . . . . 25.0 111.021 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -119.67 -174.18 2.69 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.625 -1.62 . . . . 25.0 106.625 174.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -52.46 -47.47 66.44 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.793 1.035 . . . . 25.0 113.793 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.504 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.6 tt0 -55.76 -46.02 77.96 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.532 0.606 . . . . 25.0 110.911 -177.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.22 -39.65 68.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.997 0.903 . . . . 25.0 109.358 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -39.79 91.8 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.358 -0.837 . . . . 25.0 109.915 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.07 -36.14 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.416 -0.178 . . . . 25.0 110.594 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 72' ' ' GLN . 64.3 t -57.25 -45.25 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 176.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.03 -36.06 72.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.6 -178.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.6 -43.84 96.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.864 -0.421 . . . . 25.0 109.864 176.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.39 83.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.066 -0.396 . . . . 25.0 110.373 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.99 99.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.181 0.515 . . . . 25.0 110.631 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.45 -33.69 71.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.25 0.547 . . . . 25.0 109.944 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.7 m -64.23 -43.73 94.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.097 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.458 HG11 ' HB2' ' B' ' 72' ' ' GLN . 32.2 m -72.39 -19.0 19.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 O-C-N 121.68 -0.638 . . . . 25.0 112.341 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.05 0.69 1.78 Allowed 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 121.865 0.84 . . . . 25.0 111.192 170.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.08 -15.47 62.01 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.315 -1.491 . . . . 25.0 111.987 -176.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.473 ' HA ' ' HD1' ' A' ' 90' ' ' TRP . 13.2 t30 -56.3 -20.81 20.49 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 112.859 0.688 . . . . 25.0 112.859 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -55.54 -29.97 59.91 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.439 0.533 . . . . 25.0 112.439 174.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -68.55 -18.43 64.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 118.72 0.691 . . . . 25.0 111.76 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.473 ' HD1' ' HA ' ' A' ' 87' ' ' ASN . 22.8 m95 -111.15 7.09 21.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.705 -0.68 . . . . 25.0 110.584 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -118.09 103.14 9.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.569 0.699 . . . . 25.0 109.748 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -94.8 78.09 3.67 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 172.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 55.9 m . . . . . 0 C--O 1.246 0.918 0 CA-C-O 117.19 -1.386 . . . . 25.0 109.981 -179.094 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.169 0 CA-C-O 118.765 -1.02 . . . . 25.0 111.19 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.25 170.53 7.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.978 -1.119 . . . . 25.0 107.978 172.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -61.18 -35.67 77.79 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.207 0.527 . . . . 25.0 110.733 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.441 HD22 HD13 ' A' ' 41' ' ' LEU . 5.4 tt -63.81 -42.32 97.71 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 121.75 0.786 . . . . 25.0 110.077 176.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -69.35 -35.85 76.3 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 121.707 -0.62 . . . . 25.0 111.467 -175.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.6 p -73.84 -25.34 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.573 -0.451 . . . . 25.0 110.03 175.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.67 92.49 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 173.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 92.6 mmm -70.7 -33.44 70.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.908 0.707 . . . . 25.0 112.908 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.57 -27.01 65.69 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.1 m -64.63 -43.21 94.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.433 -0.349 . . . . 25.0 110.348 173.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.24 -36.82 81.03 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.373 -0.603 . . . . 25.0 109.373 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.7 mt -65.88 -45.5 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -58.9 -45.0 91.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.91 0.386 . . . . 25.0 111.034 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.432 HG11 HD12 ' A' ' 4' ' ' LEU . 76.3 t -67.19 -43.73 88.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 25.0 111.29 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -59.86 -44.17 94.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.406 0.622 . . . . 25.0 109.507 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -68.09 -18.65 64.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.45 89.48 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.897 -0.502 . . . . 25.0 111.62 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -101.87 -16.58 16.52 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 -177.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.7 p -64.55 157.04 27.95 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.345 1.239 . . . . 25.0 114.345 -174.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.64 15.17 25.51 Favored Glycine 0 N--CA 1.46 0.283 0 N-CA-C 117.498 1.759 . . . . 25.0 117.498 176.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -74.03 -34.52 64.13 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.617 1.209 . . . . 25.0 110.004 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -78.88 -13.32 59.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.346 -0.843 . . . . 25.0 112.363 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.89 -30.88 7.14 Favored Glycine 0 N--CA 1.454 -0.159 0 CA-C-N 116.071 -0.513 . . . . 25.0 112.9 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -87.61 120.17 28.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.434 -1.691 . . . . 25.0 106.434 174.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -73.2 -15.8 61.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.111 -171.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -105.04 17.05 24.8 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.234 0.54 . . . . 25.0 110.297 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -128.16 156.22 43.23 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -140.98 129.24 22.27 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 2.0 m -67.47 145.75 54.66 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.303 -0.248 . . . . 25.0 111.109 -177.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -59.26 -46.07 89.5 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.035 1.124 . . . . 25.0 114.035 -174.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -32.72 68.0 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.932 0.787 . . . . 25.0 112.373 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -77.89 -28.42 49.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.592 0.711 . . . . 25.0 110.008 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.421 HD22 HG21 ' B' ' 69' ' ' VAL . 17.5 tp -63.75 -34.5 78.02 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.002 -0.437 . . . . 25.0 110.026 176.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.565 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.9 ttpt -62.16 -34.7 76.91 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 120.387 -0.525 . . . . 25.0 110.669 179.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.97 -47.58 84.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.93 -46.06 92.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.785 -0.643 . . . . 25.0 109.665 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.43 -29.19 70.25 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 121.357 0.598 . . . . 25.0 111.801 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.87 -19.49 40.82 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.199 0.6 . . . . 25.0 110.822 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 45.0 m -99.6 -59.91 1.63 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.643 -0.708 . . . . 25.0 112.267 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -83.94 -27.19 28.69 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 -176.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.407 ' HG ' ' HB2' ' B' ' 44' ' ' PHE . 8.4 tp -106.36 13.61 28.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.621 0.724 . . . . 25.0 109.583 178.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.24 -39.98 57.84 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.566 1.691 . . . . 25.0 115.566 177.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.27 -34.83 63.97 Favored Glycine 0 C--O 1.224 -0.528 0 N-CA-C 110.956 -0.858 . . . . 25.0 110.956 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.407 ' HB2' ' HG ' ' B' ' 41' ' ' LEU . 7.9 m-30 -69.52 -31.03 69.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.91 -0.759 . . . . 25.0 109.04 175.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.87 -39.26 76.44 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.719 0.295 . . . . 25.0 110.503 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -67.96 -30.34 69.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.885 0.85 . . . . 25.0 110.41 176.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.3 29.03 2.99 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 115.58 -0.736 . . . . 25.0 109.304 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -67.07 150.67 48.88 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -138.28 -49.25 0.55 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -78.85 89.57 4.67 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 115.296 -0.865 . . . . 25.0 109.39 172.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.4 ' HA ' HG12 ' B' ' 54' ' ' VAL . 30.3 m -67.95 -24.09 29.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.937 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.14 -39.87 60.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.56 0.695 . . . . 25.0 109.578 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.65 -36.79 37.28 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.394 0.516 . . . . 25.0 112.394 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' B' ' 51' ' ' VAL . 8.7 p -65.29 -39.03 84.06 Favored 'Isoleucine or valine' 0 C--O 1.248 1.005 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -79.11 -24.46 43.4 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 121.911 0.863 . . . . 25.0 111.371 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -60.35 -27.33 67.3 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.571 -0.74 . . . . 25.0 111.15 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -85.52 -45.08 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.578 0.704 . . . . 25.0 109.617 176.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 8.6 mmt -66.8 -54.2 25.04 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.934 -0.575 . . . . 25.0 112.543 -173.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -35.33 79.94 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 121.159 -0.216 . . . . 25.0 110.584 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.21 -49.34 78.0 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.505 -0.478 . . . . 25.0 109.989 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -76.8 -20.38 56.47 Favored 'General case' 0 C--O 1.209 -1.036 0 C-N-CA 119.521 -0.871 . . . . 25.0 109.894 -175.135 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.55 -26.44 67.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 25.0 110.432 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -100.54 -26.59 13.79 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.555 0.693 . . . . 25.0 110.348 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -95.39 21.98 7.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 25.0 109.669 177.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.54 24.23 2.7 Favored Glycine 0 C--O 1.215 -1.073 0 CA-C-N 115.726 -0.67 . . . . 25.0 112.826 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -115.86 -7.78 12.0 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 122.586 -0.361 . . . . 25.0 111.287 170.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.82 -157.86 32.82 Favored Glycine 0 N--CA 1.435 -1.428 0 N-CA-C 109.619 -1.392 . . . . 25.0 109.619 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 12.3 pt-20 -151.96 164.61 36.8 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.127 -1.037 . . . . 25.0 110.363 -174.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.421 HG21 HD22 ' B' ' 33' ' ' LEU . 3.0 m -135.33 172.74 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.449 -0.796 . . . . 25.0 109.479 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -119.9 -174.07 2.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.127 -1.805 . . . . 25.0 106.127 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -54.79 -47.01 74.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.287 0.847 . . . . 25.0 113.287 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.458 ' HB2' HG11 ' A' ' 83' ' ' VAL . 64.9 tt0 -55.25 -48.09 74.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 118.186 0.448 . . . . 25.0 110.917 -177.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -68.48 -43.76 76.24 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 108.669 -0.863 . . . . 25.0 108.669 -173.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -41.04 82.61 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.275 -0.875 . . . . 25.0 110.571 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.2 t -71.78 -36.62 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 122.171 -0.331 . . . . 25.0 111.076 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.426 HG22 HG22 ' A' ' 76' ' ' VAL . 54.0 t -60.21 -43.97 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 109.638 -0.504 . . . . 25.0 109.638 177.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.2 mt -69.76 -36.62 75.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.094 0.473 . . . . 25.0 110.788 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.7 t -62.16 -44.72 99.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.164 -0.68 . . . . 25.0 109.164 175.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.87 88.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.018 -0.426 . . . . 25.0 110.679 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.55 98.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.5 0.667 . . . . 25.0 110.503 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.35 -33.27 72.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.312 0.577 . . . . 25.0 110.099 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 51.0 m -65.11 -45.1 86.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.295 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.8 m -71.38 -22.13 22.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 O-C-N 121.343 -0.848 . . . . 25.0 111.431 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.78 -4.38 6.48 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.472 0.653 . . . . 25.0 111.296 172.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -41.78 -22.19 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 120.085 3.365 . . . . 25.0 120.085 -172.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -26.88 8.42 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.828 1.788 . . . . 25.0 115.828 -176.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -70.8 -20.81 62.55 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 112.742 0.645 . . . . 25.0 112.742 -177.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -85.29 -17.45 36.86 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -120.17 -0.4 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 114.861 1.43 . . . . 25.0 114.861 -171.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -128.88 103.2 6.9 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.54 94.51 8.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.991 -1.004 . . . . 25.0 110.144 -176.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.208 -0.901 . . . . 25.0 110.616 176.724 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 119.536 -0.591 . . . . 25.0 111.779 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -70.7 178.76 2.89 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 171.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.23 -44.06 95.52 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.404 0.621 . . . . 25.0 110.831 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.446 HD22 HD13 ' B' ' 41' ' ' LEU . 3.8 tt -65.54 -41.77 92.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.907 0.86 . . . . 25.0 109.648 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.18 -34.79 76.94 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 121.348 -0.845 . . . . 25.0 111.598 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 p -71.3 -27.89 63.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 120.113 -0.635 . . . . 25.0 109.775 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.03 -46.77 82.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 91.3 mmm -71.81 -32.78 67.94 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.064 0.764 . . . . 25.0 113.064 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -69.8 -25.86 63.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.8 m -67.44 -42.91 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.081 -0.387 . . . . 25.0 110.615 171.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.44 -34.5 74.07 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.21 -48.7 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -57.63 -50.36 73.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.073 0.463 . . . . 25.0 110.436 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.72 -45.78 97.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.631 -0.713 . . . . 25.0 112.279 -177.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -61.2 -47.86 84.18 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.674 -0.641 . . . . 25.0 110.535 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -74.08 -13.87 60.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -174.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.61 -54.18 48.96 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 117.995 0.361 . . . . 25.0 111.481 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.306 13.9 p80 -126.91 30.05 5.54 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 177.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 p -63.23 171.0 2.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 113.852 -1.522 . . . . 25.0 108.426 162.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.26 31.06 48.29 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.135 -1.031 . . . . 25.0 115.393 173.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -67.2 -30.23 70.11 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 106.453 -1.684 . . . . 25.0 106.453 172.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -86.54 -5.56 59.12 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.397 -1.274 . . . . 25.0 113.088 175.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.98 -29.86 10.16 Favored Glycine 0 N--CA 1.461 0.31 0 N-CA-C 115.625 1.01 . . . . 25.0 115.625 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -88.24 115.52 25.8 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.509 1.155 . . . . 25.0 108.503 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -75.69 -10.96 59.88 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -171.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.29 1.43 57.23 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.15 159.37 37.03 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.959 -0.564 . . . . 25.0 110.525 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 33' ' ' LEU . 14.3 tp -147.87 134.66 20.04 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 172.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 8.6 m -66.6 146.59 54.33 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 -177.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -55.8 -50.36 70.69 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.441 0.904 . . . . 25.0 113.441 -176.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HD2' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -58.62 -30.07 66.99 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.349 0.522 . . . . 25.0 112.255 177.098 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.5 -26.24 38.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.363 0.601 . . . . 25.0 110.378 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 28' ' ' LEU . 14.4 tp -67.26 -33.59 75.64 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 121.594 -0.691 . . . . 25.0 109.325 176.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HB2' HD11 ' A' ' 61' ' ' LEU . 32.1 ttpt -56.48 -36.71 69.42 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 120.826 -0.35 . . . . 25.0 110.653 176.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.5 -48.09 81.1 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.36 -43.62 98.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.628 0.728 . . . . 25.0 110.446 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.3 mt -65.66 -31.11 71.95 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.71 -0.677 . . . . 25.0 112.388 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -81.83 -22.58 36.93 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 123.028 0.531 . . . . 25.0 109.807 -178.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.1 m -88.29 -51.62 5.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.796 -0.638 . . . . 25.0 111.333 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -90.37 -44.84 9.4 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.31 0.856 . . . . 25.0 113.31 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.449 HD13 HD22 ' B' ' 4' ' ' LEU . 10.5 tp -86.27 8.26 21.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.264 0.554 . . . . 25.0 110.406 -177.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.13 -36.73 8.81 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 115.574 1.694 . . . . 25.0 115.574 175.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.35 -36.77 63.16 Favored Glycine 0 C--O 1.223 -0.557 0 C-N-CA 120.525 -0.845 . . . . 25.0 111.711 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -72.88 -28.13 62.31 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.771 -0.826 . . . . 25.0 108.771 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.75 -40.59 84.08 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 177.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.36 -31.6 67.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.599 0.714 . . . . 25.0 111.392 176.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.58 20.99 4.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 -176.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.69 153.29 28.6 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.265 -0.425 . . . . 25.0 109.931 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -133.73 -46.42 0.8 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.368 -0.975 . . . . 25.0 108.368 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -83.56 87.82 7.02 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.072 -1.084 . . . . 25.0 108.072 174.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.33 -28.24 44.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.555 -0.748 . . . . 25.0 110.148 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.8 -41.14 79.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.99 -37.99 33.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.024 -0.534 . . . . 25.0 112.145 -175.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.4 -39.23 84.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.328 -0.989 . . . . 25.0 108.328 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -80.42 -30.0 37.67 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.019 -0.537 . . . . 25.0 110.029 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -58.06 -42.75 86.13 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 120.522 -0.471 . . . . 25.0 109.965 176.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.7 t -69.01 -40.69 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 108.561 -0.903 . . . . 25.0 108.561 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mmt -67.66 -52.22 40.59 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.584 -0.734 . . . . 25.0 111.751 -177.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -38.97 93.1 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 121.04 -0.264 . . . . 25.0 110.571 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -60.41 -42.23 95.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.104 -0.332 . . . . 25.0 110.104 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.96 -24.35 43.96 Favored 'General case' 0 C--O 1.206 -1.221 0 C-N-CA 118.858 -1.137 . . . . 25.0 110.455 -178.452 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.75 -26.6 66.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.167 0.508 . . . . 25.0 110.53 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -93.09 -24.18 18.38 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 122.017 0.913 . . . . 25.0 108.71 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -95.14 17.7 13.64 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.64 32.52 2.13 Favored Glycine 0 C--O 1.216 -1.004 0 CA-C-N 115.873 -0.603 . . . . 25.0 113.506 -173.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -115.81 -29.87 6.27 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.356 -0.422 . . . . 25.0 110.225 174.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.51 -151.33 13.19 Favored Glycine 0 N--CA 1.441 -1.025 0 CA-C-O 122.755 1.197 . . . . 25.0 111.828 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 15.3 pt-20 -151.18 165.23 34.56 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.843 -1.178 . . . . 25.0 110.252 -169.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.46 HG21 HD22 ' A' ' 33' ' ' LEU . 5.4 m -135.89 175.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.25 -0.886 . . . . 25.0 110.027 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -127.91 -174.28 3.16 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.315 -2.106 . . . . 25.0 105.315 174.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -52.11 -49.19 64.13 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.493 ' HB2' HG11 ' B' ' 83' ' ' VAL . 65.4 tt0 -55.59 -44.92 77.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.655 0.661 . . . . 25.0 111.156 -176.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -42.21 70.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.11 0.957 . . . . 25.0 109.947 -176.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -38.35 82.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.249 -0.887 . . . . 25.0 110.179 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.8 t -71.83 -35.83 56.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.613 0.244 . . . . 25.0 110.678 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 72' ' ' GLN . 79.0 t -58.69 -45.73 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 177.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.39 -37.8 77.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.17 0.51 . . . . 25.0 111.022 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.5 t -61.54 -45.58 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.77 88.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.1 -0.375 . . . . 25.0 110.624 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.34 99.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.262 0.553 . . . . 25.0 110.745 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 tt -69.35 -38.08 77.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.69 0.757 . . . . 25.0 110.064 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.8 m -58.49 -44.33 89.36 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.962 -0.563 . . . . 25.0 111.294 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.7 m -73.09 -25.64 21.99 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.27 -27.56 68.72 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 122.268 1.032 . . . . 25.0 109.676 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -79.55 -15.36 57.83 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.176 -1.578 . . . . 25.0 114.563 -171.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -56.73 -20.93 24.59 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.28 0.562 . . . . 25.0 112.195 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -45.23 -16.06 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 115.126 1.528 . . . . 25.0 115.126 170.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -51.25 -32.52 24.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.489 0.716 . . . . 25.0 112.757 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -82.11 9.62 8.22 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 114.768 1.396 . . . . 25.0 114.768 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -89.26 103.51 16.13 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 106.122 -1.807 . . . . 25.0 106.122 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -77.38 98.12 5.14 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.096 -0.956 . . . . 25.0 110.343 -173.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.47 -0.776 . . . . 25.0 110.22 179.541 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 CA-C-O 119.247 -0.752 . . . . 25.0 111.844 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -179.42 0.74 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 117.55 0.675 . . . . 25.0 110.913 175.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -61.42 -45.02 96.08 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.345 0.593 . . . . 25.0 110.589 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.449 HD22 HD13 ' A' ' 41' ' ' LEU . 3.6 tt -65.64 -40.28 92.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.195 0.997 . . . . 25.0 109.807 178.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -69.05 -35.67 76.82 Favored 'General case' 0 C--N 1.314 -0.95 0 O-C-N 121.536 -0.727 . . . . 25.0 111.957 -175.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -73.06 -29.73 63.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.3 86.7 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 173.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 95.8 mmm -73.27 -31.03 63.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -71.7 -24.95 61.9 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.1 m -66.23 -43.29 87.07 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.165 -0.334 . . . . 25.0 110.157 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.82 -33.68 73.39 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.052 -0.722 . . . . 25.0 109.052 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 69.7 mt -66.24 -47.28 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -58.39 -50.13 74.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.383 0.611 . . . . 25.0 110.319 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.06 -43.49 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.444 -0.798 . . . . 25.0 112.03 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -59.36 -47.35 85.75 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.676 -0.64 . . . . 25.0 109.733 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -73.85 -14.23 61.05 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.016 1.117 . . . . 25.0 114.016 -174.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.31 93.98 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 174.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -99.39 -17.1 18.16 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.413 0.894 . . . . 25.0 113.413 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.5 p -63.5 164.84 8.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.029 0.752 . . . . 25.0 113.029 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.72 0.88 66.25 Favored Glycine 0 C--O 1.227 -0.304 0 N-CA-C 114.814 0.686 . . . . 25.0 114.814 177.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -61.89 -33.81 74.89 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.241 -0.651 . . . . 25.0 109.241 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -103.58 40.74 1.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 116.049 1.87 . . . . 25.0 116.049 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.06 -30.68 3.23 Favored Glycine 0 C--N 1.306 -1.102 0 N-CA-C 117.748 1.859 . . . . 25.0 117.748 172.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -109.5 125.57 52.61 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -74.46 -18.48 60.63 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -173.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.65 6.53 48.72 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.778 -0.576 . . . . 25.0 109.6 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -124.42 164.59 19.36 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.721 -0.672 . . . . 25.0 110.95 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -148.86 135.37 19.53 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.817 -1.549 . . . . 25.0 106.817 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.456 ' HB2' ' HD3' ' B' ' 31' ' ' LYS . 0.2 OUTLIER -65.94 150.79 48.08 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 178.239 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -62.73 -39.3 93.66 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.456 ' HD3' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -67.1 -29.39 69.12 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.95 1.25 . . . . 25.0 109.325 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -79.93 -24.57 40.97 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.307 -0.86 . . . . 25.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.455 HD22 HG21 ' B' ' 69' ' ' VAL . 25.9 tp -66.43 -35.63 80.77 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 121.263 0.554 . . . . 25.0 109.645 175.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.518 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.7 ttpt -60.72 -32.58 71.83 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.496 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -62.17 -47.37 84.83 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.67 -46.78 88.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.653 0.74 . . . . 25.0 109.158 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mp -63.73 -31.8 73.09 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 115.734 -0.666 . . . . 25.0 111.369 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -81.05 -22.7 39.1 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.976 -0.452 . . . . 25.0 111.054 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 62.6 m -88.68 -51.6 5.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.774 -0.648 . . . . 25.0 111.548 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -95.57 -44.14 7.63 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.446 HD13 HD22 ' A' ' 4' ' ' LEU . 9.7 tp -84.64 9.83 12.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.727 0.775 . . . . 25.0 109.943 -178.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.5 -34.91 26.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 115.125 1.528 . . . . 25.0 115.125 175.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.9 63.46 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.269 -0.967 . . . . 25.0 111.222 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -70.8 -25.53 62.91 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.04 -0.683 . . . . 25.0 109.357 176.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.2 mt -76.86 -39.62 50.51 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 117.059 -0.064 . . . . 25.0 111.045 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.66 -36.58 80.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.722 0.772 . . . . 25.0 110.601 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.96 29.76 5.24 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.748 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -62.57 159.8 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.101 -0.5 . . . . 25.0 110.013 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -135.4 -52.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.519 -0.31 . . . . 25.0 110.956 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -79.06 91.16 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.807 -0.812 . . . . 25.0 108.807 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.8 -26.8 37.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.169 -0.469 . . . . 25.0 111.381 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.05 -42.82 56.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.5 -0.556 . . . . 25.0 109.5 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.42 55.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 -176.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.48 -39.92 87.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.406 -0.961 . . . . 25.0 108.406 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -80.53 -27.34 37.64 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.393 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -38.19 68.15 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 176.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.1 t -74.46 -43.4 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.316 0.579 . . . . 25.0 109.674 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.7 mmt -70.27 -50.5 38.91 Favored 'General case' 0 CA--C 1.496 -1.121 0 N-CA-C 112.826 0.676 . . . . 25.0 112.826 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -35.89 81.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.102 -0.333 . . . . 25.0 110.102 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.25 -47.42 86.13 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.298 -0.561 . . . . 25.0 109.593 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.4 OUTLIER -77.12 -21.69 53.81 Favored 'General case' 0 C--O 1.204 -1.342 0 C-N-CA 119.316 -0.953 . . . . 25.0 110.342 -175.649 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.75 -28.08 68.44 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.984 0.421 . . . . 25.0 111.16 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -108.06 -15.55 14.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.313 0.578 . . . . 25.0 111.616 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -102.64 13.68 33.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.483 0.659 . . . . 25.0 109.335 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.08 -18.65 60.49 Favored Glycine 0 C--O 1.221 -0.686 0 N-CA-C 115.587 0.995 . . . . 25.0 115.587 -169.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.98 5.34 51.42 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.776 0.798 . . . . 25.0 111.328 -171.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.49 -160.39 36.29 Favored Glycine 0 N--CA 1.416 -2.669 1 N-CA-C 102.803 -4.119 . . . . 25.0 102.803 171.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.73 161.24 42.61 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 122.3 -0.529 . . . . 25.0 109.88 -175.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.455 HG21 HD22 ' B' ' 33' ' ' LEU . 5.2 m -135.56 165.62 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 114.47 -1.241 . . . . 25.0 109.543 -178.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -118.67 -174.26 2.65 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 105.93 -1.878 . . . . 25.0 105.93 175.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -52.43 -47.22 66.51 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 176.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.446 ' HB2' HG11 ' A' ' 83' ' ' VAL . 65.6 tt0 -54.22 -47.57 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.177 0.444 . . . . 25.0 111.395 -177.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -44.65 65.56 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.998 0.904 . . . . 25.0 109.602 -175.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.454 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -56.27 -39.68 73.01 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.964 -1.016 . . . . 25.0 110.376 -178.348 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 82.7 t -72.18 -36.87 57.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 122.426 -0.172 . . . . 25.0 110.891 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.424 HG22 HG22 ' A' ' 76' ' ' VAL . 55.9 t -60.85 -44.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.317 0.58 . . . . 25.0 109.839 177.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.6 mt -69.57 -37.39 76.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.175 0.512 . . . . 25.0 110.356 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 t -63.12 -42.66 97.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.968 -0.56 . . . . 25.0 109.597 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.34 85.26 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.988 -0.445 . . . . 25.0 110.671 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.88 98.22 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.174 0.511 . . . . 25.0 110.363 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.52 -35.61 75.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.516 0.674 . . . . 25.0 109.852 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 63.0 m -62.1 -42.9 99.68 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.05 -0.406 . . . . 25.0 111.39 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.5 m -72.88 -23.86 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 121.292 -0.88 . . . . 25.0 112.053 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.21 -28.88 69.09 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 122.605 1.193 . . . . 25.0 109.121 172.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -94.78 -10.43 31.53 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.0 2.12 . . . . 25.0 113.284 -175.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.0 -20.67 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 116.467 2.025 . . . . 25.0 116.467 -170.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -49.3 -20.5 0.66 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -58.57 -28.84 65.91 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.658 -0.651 . . . . 25.0 110.786 174.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -111.3 7.36 21.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.869 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -140.05 113.17 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.25 0.547 . . . . 25.0 112.264 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.12 81.83 8.63 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 176.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.035 -0.983 . . . . 25.0 110.598 177.762 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.642 0 CA-C-O 119.505 -0.608 . . . . 25.0 111.884 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -179.3 0.86 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 117.346 0.573 . . . . 25.0 110.538 174.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -62.42 -46.41 88.68 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.419 0.628 . . . . 25.0 110.652 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.58 -40.05 94.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.96 0.886 . . . . 25.0 109.661 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -69.64 -35.29 75.08 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.831 -0.543 . . . . 25.0 112.305 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -73.84 -29.66 62.25 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.36 93.98 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 108.015 -1.106 . . . . 25.0 108.015 173.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.2 mmm -72.22 -32.65 66.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.739 1.014 . . . . 25.0 113.739 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.37 -23.8 61.97 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.844 -0.798 . . . . 25.0 108.844 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.2 m -65.57 -42.8 91.36 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.456 -0.338 . . . . 25.0 110.567 171.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.96 -35.01 74.06 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.06 -43.51 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.42 -45.22 94.4 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.547 0.689 . . . . 25.0 110.757 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG11 HD12 ' B' ' 4' ' ' LEU . 76.5 t -64.59 -44.57 96.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.537 -0.756 . . . . 25.0 111.14 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.01 -43.42 98.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.642 -0.661 . . . . 25.0 110.16 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -61.02 -25.3 66.81 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.496 0.718 . . . . 25.0 112.164 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.55 99.48 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.814 -0.554 . . . . 25.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -103.15 -18.07 15.09 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -65.72 166.47 10.83 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.86 1.059 . . . . 25.0 113.86 -174.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.54 2.93 43.82 Favored Glycine 0 C--O 1.221 -0.687 0 C-N-CA 121.103 -0.57 . . . . 25.0 112.301 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -65.5 -32.2 73.68 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 120.85 0.357 . . . . 25.0 110.964 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -75.79 -29.81 58.87 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.924 0.869 . . . . 25.0 110.203 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.73 -30.73 5.62 Favored Glycine 0 C--N 1.322 -0.199 0 N-CA-C 108.722 -1.751 . . . . 25.0 108.722 -175.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -88.27 136.7 32.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 106.165 -1.791 . . . . 25.0 106.165 172.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -81.91 -17.7 46.25 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -173.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -84.54 4.91 29.84 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 122.209 -0.307 . . . . 25.0 110.356 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -125.74 145.06 50.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.391 0.615 . . . . 25.0 112.634 -177.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.19 129.56 17.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.612 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 2.2 m -63.58 144.66 56.82 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -61.03 -47.4 86.56 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.599 0.963 . . . . 25.0 113.599 -173.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -31.43 67.08 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 120.88 0.371 . . . . 25.0 111.821 178.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -76.3 -29.81 57.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.446 0.641 . . . . 25.0 109.388 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.515 HD11 ' HD1' ' A' ' 74' ' ' TYR . 27.5 tp -68.22 -27.14 66.12 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 121.889 -0.507 . . . . 25.0 111.694 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.555 ' HB2' HD11 ' A' ' 61' ' ' LEU . 31.9 ttpt -62.1 -30.59 71.12 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.012 -0.675 . . . . 25.0 110.36 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -66.97 -47.37 71.78 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.36 -44.08 95.93 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.946 -0.57 . . . . 25.0 109.606 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.0 mt -63.54 -28.71 70.13 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 121.084 0.469 . . . . 25.0 111.519 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -81.7 -22.49 37.38 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 122.009 -0.432 . . . . 25.0 111.604 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.2 m -97.19 -52.79 3.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.676 -0.693 . . . . 25.0 112.843 -174.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -89.09 -31.33 18.08 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 121.096 0.474 . . . . 25.0 112.074 -177.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 41' ' ' LEU . 7.2 tp -100.57 11.89 38.51 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.623 0.725 . . . . 25.0 109.811 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -42.09 24.83 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 116.128 1.899 . . . . 25.0 116.128 175.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.39 -30.08 61.0 Favored Glycine 0 C--O 1.226 -0.367 0 N-CA-C 110.944 -0.862 . . . . 25.0 110.944 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -71.46 -31.6 67.35 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 174.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.5 -40.42 77.0 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.62 -34.41 78.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.568 0.699 . . . . 25.0 111.348 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.99 28.71 4.22 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 116.026 -0.534 . . . . 25.0 110.124 -177.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.57 154.26 36.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -129.25 -50.41 1.19 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.428 0.633 . . . . 25.0 109.668 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -83.57 80.84 8.98 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.681 -1.229 . . . . 25.0 107.681 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.34 -23.75 33.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 114.985 -1.007 . . . . 25.0 112.422 -175.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.68 -40.81 61.18 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.387 -0.525 . . . . 25.0 110.039 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.45 -35.91 53.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.843 -0.535 . . . . 25.0 112.133 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -61.64 -37.4 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.007 -1.108 . . . . 25.0 108.007 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.83 -32.2 63.58 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 114.273 -1.331 . . . . 25.0 111.17 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -32.1 72.32 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.407 -0.517 . . . . 25.0 111.866 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -70.67 -42.46 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 107.699 -1.222 . . . . 25.0 107.699 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 mmt -66.46 -48.0 71.32 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 115.071 -0.968 . . . . 25.0 112.444 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -38.07 88.33 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.69 -179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -60.87 -45.79 93.16 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -78.68 -23.27 45.73 Favored 'General case' 0 C--O 1.201 -1.476 0 C-N-CA 118.65 -1.22 . . . . 25.0 109.25 -172.538 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.65 -21.65 65.36 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.938 -0.476 . . . . 25.0 112.085 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.29 -25.11 14.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.457 0.646 . . . . 25.0 110.48 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -96.97 13.29 29.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.037 0.923 . . . . 25.0 109.577 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.87 35.93 2.7 Favored Glycine 0 CA--C 1.496 -1.101 0 CA-C-N 115.048 -0.978 . . . . 25.0 113.432 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -115.44 -26.91 7.36 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 172.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.59 -156.66 32.72 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 108.853 -1.699 . . . . 25.0 108.853 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 7.8 mp0 -141.54 158.62 43.61 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 113.66 -1.27 . . . . 25.0 110.243 -173.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.01 172.9 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 114.673 -1.149 . . . . 25.0 109.286 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -116.03 -174.53 2.56 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.401 -1.333 . . . . 25.0 107.401 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -53.97 -46.53 71.68 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 113.045 0.757 . . . . 25.0 113.045 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.497 ' O ' HG23 ' A' ' 76' ' ' VAL . 64.8 tt0 -55.44 -45.6 76.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 118.382 0.537 . . . . 25.0 111.058 -177.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -74.25 -37.69 63.7 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.969 0.89 . . . . 25.0 110.059 -174.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.515 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -59.58 -39.19 83.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.455 -0.793 . . . . 25.0 109.032 178.325 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 76.4 t -72.9 -36.54 52.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 122.439 -0.163 . . . . 25.0 110.805 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 72' ' ' GLN . 68.2 t -57.36 -46.74 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 176.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.8 -37.64 79.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.066 0.46 . . . . 25.0 111.184 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 t -63.41 -44.91 99.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.788 -0.449 . . . . 25.0 109.788 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.25 84.19 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.91 -0.494 . . . . 25.0 110.177 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.88 95.08 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.075 0.464 . . . . 25.0 110.639 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.91 -36.11 75.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.133 0.492 . . . . 25.0 109.741 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.2 m -63.98 -43.4 95.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.361 -0.382 . . . . 25.0 111.763 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.598 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.3 m -67.01 -23.68 31.19 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 O-C-N 121.48 -0.762 . . . . 25.0 112.715 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.67 -5.38 1.87 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 121.492 0.663 . . . . 25.0 111.976 171.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -73.38 -15.7 61.36 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.54 1.311 . . . . 25.0 114.54 -170.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -57.15 -21.09 30.26 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.548 0.613 . . . . 25.0 111.816 176.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -59.19 -16.98 23.59 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.025 0.75 . . . . 25.0 113.025 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.42 -31.14 67.44 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.238 0.542 . . . . 25.0 110.187 173.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -102.15 16.88 24.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -108.9 103.48 12.54 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.288 0.566 . . . . 25.0 109.761 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.7 78.39 9.6 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 175.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.056 -0.973 . . . . 25.0 110.307 176.423 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 CA-C-O 119.438 -0.646 . . . . 25.0 111.868 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.69 173.83 4.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 174.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -59.84 -44.76 93.91 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.28 0.562 . . . . 25.0 111.246 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.408 HD12 HG11 ' A' ' 14' ' ' VAL . 2.2 tt -65.9 -39.57 90.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.832 0.825 . . . . 25.0 110.141 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.63 -38.45 89.43 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.495 -0.753 . . . . 25.0 111.223 -177.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.8 p -72.54 -27.89 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.165 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.8 80.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 174.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 93.6 mmm -71.58 -31.82 67.38 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.08 -28.47 67.39 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.9 m -65.86 -43.19 89.13 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 122.116 -0.365 . . . . 25.0 110.327 172.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.02 -36.02 80.31 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.9 mt -66.55 -47.7 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -57.6 -50.94 71.5 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.253 0.549 . . . . 25.0 111.262 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.76 -34.02 58.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-N 115.841 -0.618 . . . . 25.0 112.141 -175.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.26 -45.66 92.32 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.224 -0.922 . . . . 25.0 109.074 171.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -67.59 -16.54 64.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.484 -0.78 . . . . 25.0 112.652 -176.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.85 -42.67 73.24 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.623 -0.673 . . . . 25.0 110.757 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -95.8 -12.37 25.41 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.449 ' HA ' ' HG ' ' B' ' 28' ' ' LEU . 82.3 p -64.39 160.22 19.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.649 0.738 . . . . 25.0 111.684 -177.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.2 1.69 69.29 Favored Glycine 0 C--O 1.221 -0.662 0 C-N-CA 120.583 -0.817 . . . . 25.0 114.577 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -59.31 -39.05 81.85 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 117.636 0.718 . . . . 25.0 109.328 176.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -77.4 -25.96 51.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.74 -1.118 . . . . 25.0 112.879 -176.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.3 -31.05 4.13 Favored Glycine 0 C--N 1.321 -0.257 0 CA-C-N 115.607 -0.724 . . . . 25.0 113.538 -176.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -93.92 124.68 38.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.5 -1.667 . . . . 25.0 106.5 173.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -77.25 -13.76 59.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -172.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -96.39 8.16 44.7 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.789 -0.57 . . . . 25.0 109.509 176.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -128.59 160.17 33.23 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.632 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.449 ' HG ' ' HA ' ' B' ' 19' ' ' SER . 0.0 OUTLIER -142.21 136.02 29.49 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 106.113 -1.81 . . . . 25.0 106.113 178.41 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.55 150.93 45.6 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -63.68 -42.29 98.06 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 113.937 1.088 . . . . 25.0 113.937 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -29.92 71.0 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.038 -1.039 . . . . 25.0 109.678 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -80.56 -24.08 39.49 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.551 -0.749 . . . . 25.0 110.365 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.477 HD11 ' HD1' ' B' ' 74' ' ' TYR . 17.0 tp -66.25 -36.6 83.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.703 -0.623 . . . . 25.0 109.633 175.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.526 ' HB2' HD11 ' B' ' 61' ' ' LEU . 33.2 ttpt -61.2 -32.76 72.53 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.288 -0.415 . . . . 25.0 110.394 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -62.58 -47.65 82.88 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.15 -46.48 88.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.665 0.745 . . . . 25.0 109.343 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mp -64.17 -32.33 73.87 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.698 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.9 -22.32 36.9 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.828 -0.545 . . . . 25.0 110.834 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 66.4 m -86.75 -50.54 6.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.852 -0.613 . . . . 25.0 111.323 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.87 -45.08 6.44 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.609 0.966 . . . . 25.0 113.609 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.0 tp -83.75 9.32 12.11 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.643 0.735 . . . . 25.0 109.743 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -37.0 43.4 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 114.946 1.462 . . . . 25.0 114.946 175.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.02 -37.17 73.46 Favored Glycine 0 C--O 1.229 -0.194 0 C-N-CA 120.33 -0.938 . . . . 25.0 110.818 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -71.01 -30.0 66.11 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.883 -0.775 . . . . 25.0 109.308 176.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.99 -41.16 78.22 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.844 -0.428 . . . . 25.0 109.844 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -67.39 -32.94 74.18 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.468 0.652 . . . . 25.0 111.559 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.68 29.39 4.52 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 116.06 -0.518 . . . . 25.0 110.502 -176.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -64.86 153.6 39.71 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -124.95 -53.21 1.65 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 175.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -81.05 84.25 6.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.686 0.755 . . . . 25.0 109.373 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.9 m -62.51 -23.78 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.11 -0.95 . . . . 25.0 112.614 -175.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -75.56 -39.08 58.68 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.884 -0.51 . . . . 25.0 110.28 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.76 -38.53 58.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.774 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -63.22 -37.61 79.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 122.061 0.934 . . . . 25.0 108.621 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -76.02 -30.47 58.5 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.797 -1.092 . . . . 25.0 111.327 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -36.0 81.17 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.547 -0.461 . . . . 25.0 111.594 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.02 -43.03 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 122.195 0.998 . . . . 25.0 108.765 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.5 mmt -68.54 -49.59 58.36 Favored 'General case' 0 CA--C 1.493 -1.238 0 CA-C-N 115.122 -0.945 . . . . 25.0 112.766 -175.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -35.08 79.59 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 123.101 0.251 . . . . 25.0 110.341 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.19 -48.42 81.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.915 -0.772 . . . . 25.0 108.915 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.3 OUTLIER -79.69 -19.55 48.68 Favored 'General case' 0 C--O 1.21 -1.001 0 C-N-CA 119.354 -0.938 . . . . 25.0 111.357 -174.252 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -60.29 -28.93 68.49 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.082 0.468 . . . . 25.0 111.102 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -108.19 -22.07 12.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.333 0.587 . . . . 25.0 111.804 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -96.93 14.04 26.8 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.614 0.721 . . . . 25.0 110.29 178.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.17 -21.85 59.97 Favored Glycine 0 C--O 1.22 -0.762 0 N-CA-C 115.412 0.925 . . . . 25.0 115.412 -171.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.65 4.65 50.8 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.831 0.824 . . . . 25.0 110.617 -172.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.28 -157.53 33.53 Favored Glycine 0 N--CA 1.418 -2.554 0 N-CA-C 104.259 -3.536 . . . . 25.0 104.259 172.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -152.36 168.25 26.06 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 122.23 -0.571 . . . . 25.0 109.513 -174.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.66 167.16 18.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.135 -0.938 . . . . 25.0 109.124 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -119.64 -174.33 2.72 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 105.595 -2.002 . . . . 25.0 105.595 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -52.79 -47.74 67.37 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.598 ' HB2' HG11 ' A' ' 83' ' ' VAL . 62.1 tt0 -53.94 -47.5 71.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.392 0.542 . . . . 25.0 110.99 -177.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -71.89 -44.5 63.64 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 121.834 0.826 . . . . 25.0 109.057 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.477 ' HD1' HD11 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -55.67 -40.39 72.22 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.129 -0.941 . . . . 25.0 110.188 -178.573 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -72.75 -38.11 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 122.28 -0.263 . . . . 25.0 111.194 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 76' ' ' VAL . 53.6 t -59.73 -43.32 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.155 0.502 . . . . 25.0 109.699 177.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.84 -35.91 75.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.091 0.472 . . . . 25.0 110.831 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.3 t -64.56 -43.04 96.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 175.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.61 79.88 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.904 -0.498 . . . . 25.0 111.098 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.66 98.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.367 0.603 . . . . 25.0 110.207 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.17 -35.64 76.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.207 0.527 . . . . 25.0 109.81 177.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.2 m -63.86 -43.79 95.04 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.873 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.487 HG11 ' HB2' ' A' ' 72' ' ' GLN . 27.6 m -70.45 -23.83 24.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 O-C-N 121.548 -0.72 . . . . 25.0 111.992 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.19 -4.22 4.82 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 121.598 0.713 . . . . 25.0 111.836 172.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -72.12 -13.91 61.69 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.781 1.632 . . . . 25.0 115.064 -172.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -42.43 -18.57 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 117.42 2.378 . . . . 25.0 117.42 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -41.49 -21.4 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 117.448 2.388 . . . . 25.0 117.448 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -57.93 -29.02 64.81 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.072 -1.017 . . . . 25.0 110.856 174.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -115.27 4.42 14.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.865 -0.607 . . . . 25.0 111.694 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -134.26 110.16 9.33 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -89.21 78.42 7.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.339 -1.726 . . . . 25.0 106.339 167.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 C--O 1.248 0.977 0 CA-C-O 116.179 -1.867 . . . . 25.0 107.149 179.621 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.536 0 CA-C-O 119.228 -0.762 . . . . 25.0 111.692 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.69 175.19 2.48 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.852 -0.795 . . . . 25.0 108.852 172.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.5 -40.27 93.97 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.443 0.639 . . . . 25.0 112.262 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.44 HD12 HG11 ' B' ' 14' ' ' VAL . 4.5 tt -66.69 -39.37 88.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 122.244 1.021 . . . . 25.0 108.818 177.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -70.08 -35.66 74.35 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 121.615 -0.678 . . . . 25.0 111.905 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.9 p -72.25 -31.26 65.64 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 176.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.86 83.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 174.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.8 mmm -71.71 -31.71 67.02 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.66 -27.54 65.12 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.586 -0.696 . . . . 25.0 109.208 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.6 m -62.89 -44.2 96.75 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.878 0.371 . . . . 25.0 110.002 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.37 -37.07 84.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.29 -47.74 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.544 -0.539 . . . . 25.0 109.544 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.6 -50.17 74.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.183 0.516 . . . . 25.0 111.526 -176.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.02 -34.87 66.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 115.867 -0.606 . . . . 25.0 111.763 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -62.1 -43.78 98.1 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.203 -0.935 . . . . 25.0 109.538 172.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -67.89 -14.45 62.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.73 82.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 120.811 -0.355 . . . . 25.0 110.779 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -96.24 -15.2 22.14 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.942 0.401 . . . . 25.0 111.88 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.2 p -63.57 154.87 31.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.474 0.654 . . . . 25.0 111.302 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.36 -4.66 67.18 Favored Glycine 0 CA--C 1.506 -0.502 0 C-N-CA 120.766 -0.731 . . . . 25.0 111.351 -176.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -58.97 -28.06 65.97 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 109.915 -0.402 . . . . 25.0 109.915 175.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -115.5 40.77 2.64 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.795 1.406 . . . . 25.0 114.795 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.37 -30.43 3.72 Favored Glycine 0 C--N 1.308 -1.024 0 N-CA-C 117.515 1.766 . . . . 25.0 117.515 171.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -108.19 129.39 55.19 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.358 -0.979 . . . . 25.0 108.358 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -75.82 -14.32 60.29 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 114.189 1.181 . . . . 25.0 114.189 -173.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -102.1 8.63 40.73 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -127.74 156.76 41.92 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.76 -0.655 . . . . 25.0 110.306 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.47 136.62 29.61 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 105.86 -1.904 . . . . 25.0 105.86 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.15 149.63 49.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.316 0.507 . . . . 25.0 110.18 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.89 -44.16 90.53 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.409 0.522 . . . . 25.0 112.409 -176.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -30.23 71.1 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.83 0.741 . . . . 25.0 110.459 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -76.85 -29.51 55.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.433 -0.803 . . . . 25.0 109.442 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.513 HD11 ' HD1' ' A' ' 74' ' ' TYR . 28.4 tp -68.58 -28.94 67.39 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.68 -0.637 . . . . 25.0 110.839 176.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.612 ' HB2' HD11 ' A' ' 61' ' ' LEU . 29.0 ttpt -59.17 -33.67 71.2 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.07 -0.652 . . . . 25.0 110.224 177.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.64 -48.99 72.81 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 177.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.46 -43.46 93.21 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 121.338 0.59 . . . . 25.0 109.605 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.61 -32.73 74.29 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 121.179 0.514 . . . . 25.0 111.811 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -81.69 -22.43 37.45 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.845 -0.534 . . . . 25.0 111.778 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.0 m -101.55 -51.08 3.55 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -174.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -88.29 -38.01 15.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.952 0.406 . . . . 25.0 111.022 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.505 HD13 HD22 ' B' ' 4' ' ' LEU . 14.7 tp -93.01 8.66 38.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.428 -0.953 . . . . 25.0 108.428 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -45.92 -41.15 11.13 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 115.62 1.711 . . . . 25.0 115.62 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.16 -27.83 73.58 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.025 -1.083 . . . . 25.0 112.344 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -75.83 -28.09 58.12 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.599 -0.942 . . . . 25.0 109.409 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.53 -37.03 63.17 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 118.398 0.545 . . . . 25.0 110.163 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.25 -32.02 73.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.789 0.804 . . . . 25.0 109.97 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.1 28.06 8.41 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.45 -0.795 . . . . 25.0 111.433 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -61.89 152.82 30.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -125.76 -48.22 1.65 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -83.82 90.09 7.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.258 0.552 . . . . 25.0 109.893 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.22 -25.76 36.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.725 -176.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -76.63 -45.14 31.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.049 -0.722 . . . . 25.0 109.049 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.61 -38.26 67.85 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.14 -40.89 89.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -80.22 -30.72 38.62 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.5 -175.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.78 -35.6 68.88 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.304 -0.407 . . . . 25.0 110.631 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.5 t -77.1 -41.89 31.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.488 0.661 . . . . 25.0 109.398 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 mmt -68.06 -51.75 43.08 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 112.577 0.584 . . . . 25.0 112.577 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -34.3 77.76 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.882 -0.327 . . . . 25.0 110.32 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.16 -43.77 97.35 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.928 -0.483 . . . . 25.0 110.278 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -78.28 -23.25 47.29 Favored 'General case' 0 C--O 1.21 -1.012 0 C-N-CA 119.139 -1.024 . . . . 25.0 110.835 -178.465 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.52 -28.14 63.22 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.408 0.522 . . . . 25.0 112.408 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -107.4 -20.56 13.23 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.514 0.673 . . . . 25.0 111.718 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -97.56 13.67 29.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.57 0.7 . . . . 25.0 109.682 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.93 -12.11 70.74 Favored Glycine 0 C--O 1.216 -0.974 0 N-CA-C 117.614 1.806 . . . . 25.0 117.614 -167.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -91.12 6.9 43.12 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 122.003 0.906 . . . . 25.0 111.068 -170.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.61 -159.67 33.83 Favored Glycine 0 N--CA 1.416 -2.634 0 N-CA-C 103.725 -3.75 . . . . 25.0 103.725 174.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -148.86 165.13 32.42 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 122.312 -0.522 . . . . 25.0 110.168 -174.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.91 168.94 17.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.571 -0.74 . . . . 25.0 109.638 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -117.0 -174.1 2.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.937 -1.505 . . . . 25.0 106.937 177.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -53.11 -47.71 68.42 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.472 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.7 tt0 -54.21 -46.11 72.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.36 0.527 . . . . 25.0 110.77 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -77.67 -35.32 52.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.906 0.86 . . . . 25.0 110.746 -173.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.513 ' HD1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -60.59 -39.63 88.79 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.798 -0.816 . . . . 25.0 108.798 177.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 71.7 t -71.49 -36.17 59.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.686 -0.234 . . . . 25.0 110.522 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 72' ' ' GLN . 57.8 t -57.44 -45.38 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 109.13 -0.692 . . . . 25.0 109.13 177.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.0 mt -69.79 -38.51 76.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.86 0.362 . . . . 25.0 111.638 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.9 t -63.48 -43.84 98.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 177.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.94 77.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.774 -0.579 . . . . 25.0 111.056 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.15 90.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.281 0.562 . . . . 25.0 110.115 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.16 -34.42 68.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.344 0.592 . . . . 25.0 110.169 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.8 m -64.42 -41.0 96.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.462 -0.336 . . . . 25.0 111.5 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.574 HG11 ' HB2' ' B' ' 72' ' ' GLN . 27.9 m -69.12 -23.96 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.04 -1.038 . . . . 25.0 112.425 178.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.34 -4.84 6.01 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.621 0.724 . . . . 25.0 111.119 171.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -68.14 -15.44 63.59 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.699 -1.25 . . . . 25.0 112.696 -173.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.25 -22.87 54.09 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.543 -0.54 . . . . 25.0 109.543 176.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -54.98 -29.2 56.53 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 114.012 1.116 . . . . 25.0 114.012 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.444 ' HB3' ' CE2' ' B' ' 26' ' ' TYR . 31.6 m-85 -80.16 -0.06 34.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 120.928 -1.108 . . . . 25.0 111.454 -177.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -122.79 6.75 9.37 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.059 0.762 . . . . 25.0 113.059 -176.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.55 145.86 22.94 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.335 -1.357 . . . . 25.0 107.335 -179.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -93.88 77.98 4.18 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 176.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.244 0.81 0 CA-C-O 117.466 -1.254 . . . . 25.0 109.6 175.687 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.84 0 N-CA-C 111.9 -0.48 . . . . 25.0 111.9 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -105.55 177.3 4.89 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.014 -1.476 . . . . 25.0 107.014 176.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -60.39 -30.23 69.45 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 110.289 -0.263 . . . . 25.0 110.289 173.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.505 HD22 HD13 ' A' ' 41' ' ' LEU . 3.3 tt -66.68 -41.92 87.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.394 0.616 . . . . 25.0 109.77 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -66.23 -39.22 89.4 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.709 -0.396 . . . . 25.0 111.294 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.1 p -76.14 -29.1 57.68 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 110.125 -0.324 . . . . 25.0 110.125 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.96 90.21 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 173.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.4 mmm -70.51 -32.42 69.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.34 0.496 . . . . 25.0 112.34 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -29.89 69.02 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.697 -0.483 . . . . 25.0 109.697 178.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -62.93 -43.46 98.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.573 -0.528 . . . . 25.0 109.573 174.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.7 -38.7 88.82 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -64.19 -48.34 86.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 C-N-CA 120.313 -0.555 . . . . 25.0 109.826 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -57.89 -41.76 83.24 Favored 'General case' 0 CA--C 1.448 -2.956 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.44 HG11 HD12 ' A' ' 4' ' ' LEU . 58.5 t -68.31 -43.76 84.21 Favored 'Isoleucine or valine' 0 C--N 1.389 2.304 0 O-C-N 120.885 -1.135 . . . . 25.0 110.461 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -62.46 -43.05 99.76 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 122.04 0.924 . . . . 25.0 109.915 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -64.54 -22.67 67.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.11 -0.95 . . . . 25.0 112.436 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.56 -40.45 95.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.645 -0.422 . . . . 25.0 111.989 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -90.29 -23.48 21.17 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.159 -0.311 . . . . 25.0 110.159 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.6 m -56.8 137.25 55.02 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.106 -0.702 . . . . 25.0 109.106 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.72 -12.78 42.33 Favored Glycine 0 C--N 1.323 -0.194 0 C-N-CA 120.469 -0.872 . . . . 25.0 113.98 -176.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -57.85 -36.7 72.69 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.06 0.93 . . . . 25.0 108.821 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -104.57 41.53 1.31 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 115.474 1.657 . . . . 25.0 115.474 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.29 -30.84 2.68 Favored Glycine 0 C--N 1.307 -1.028 0 N-CA-C 118.619 2.208 . . . . 25.0 118.619 171.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -101.77 128.97 47.88 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 107.523 -1.288 . . . . 25.0 107.523 176.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -28.13 62.7 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.128 1.159 . . . . 25.0 114.128 -169.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 89' ' ' PHE . 10.5 m-30 -107.89 12.11 27.44 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.919 0.39 . . . . 25.0 110.508 -175.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -128.13 162.59 26.57 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.15 139.92 24.98 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.901 -0.778 . . . . 25.0 108.901 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.445 ' HB2' ' HD3' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -67.37 157.05 34.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.04 0.448 . . . . 25.0 111.895 178.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -66.34 -41.27 89.82 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.445 ' HD3' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -66.75 -29.5 69.49 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.224 0.92 . . . . 25.0 109.389 -176.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.98 -32.21 65.04 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.506 -1.225 . . . . 25.0 110.479 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 14.1 tp -64.66 -29.07 70.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 25.0 110.766 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.563 ' HB2' HD11 ' B' ' 61' ' ' LEU . 32.7 ttpt -64.22 -36.31 83.65 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.013 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.66 -45.38 83.17 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.612 -0.884 . . . . 25.0 108.612 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.42 -46.85 87.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.303 0.573 . . . . 25.0 110.212 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mp -65.53 -29.3 69.92 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 121.184 0.516 . . . . 25.0 111.359 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -81.8 -22.29 37.2 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 121.908 -0.495 . . . . 25.0 110.476 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 57.9 m -88.46 -50.54 6.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.712 -0.676 . . . . 25.0 111.472 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -93.66 -44.88 7.96 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.421 HD13 HD22 ' A' ' 4' ' ' LEU . 9.6 tp -84.83 9.08 15.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.561 0.696 . . . . 25.0 110.173 -177.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -36.56 15.21 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 115.342 1.608 . . . . 25.0 115.342 175.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.34 -35.41 60.14 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 120.424 -0.893 . . . . 25.0 111.476 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -72.65 -29.17 63.22 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.83 -0.806 . . . . 25.0 108.862 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mt -69.78 -39.06 76.87 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 110.013 -0.366 . . . . 25.0 110.013 176.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.05 -33.08 73.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.644 0.735 . . . . 25.0 110.939 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.84 26.18 5.35 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.808 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -63.45 157.73 22.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.354 -0.384 . . . . 25.0 110.657 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -134.32 -54.48 0.85 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.607 -0.27 . . . . 25.0 110.511 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -78.96 86.91 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -63.53 -28.83 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 25.0 111.029 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.95 -41.03 78.59 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 121.094 0.473 . . . . 25.0 109.791 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.48 -36.45 33.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.754 -175.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 p -66.88 -40.6 86.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -80.29 -29.29 38.21 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -56.38 -46.65 79.98 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-O 118.848 -0.596 . . . . 25.0 109.835 174.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.86 -40.76 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 119.087 0.858 . . . . 25.0 108.952 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.1 mmt -69.19 -48.65 61.54 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 115.726 -0.67 . . . . 25.0 112.483 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -37.14 84.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.507 0.194 . . . . 25.0 110.509 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.25 -41.92 97.73 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' B' ' 34' ' ' LYS . 0.5 OUTLIER -81.42 -24.45 36.89 Favored 'General case' 0 C--O 1.204 -1.331 0 C-N-CA 118.794 -1.162 . . . . 25.0 111.895 179.6 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.93 -29.86 65.48 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -102.48 -20.26 14.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.659 0.742 . . . . 25.0 110.799 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -96.83 12.81 30.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.44 -0.8 . . . . 25.0 108.933 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.11 -21.52 66.03 Favored Glycine 0 C--O 1.222 -0.615 0 N-CA-C 115.46 0.944 . . . . 25.0 115.46 -169.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.91 4.23 50.62 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.839 0.828 . . . . 25.0 110.207 -174.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.09 -154.93 30.41 Favored Glycine 0 N--CA 1.421 -2.322 0 N-CA-C 104.48 -3.448 . . . . 25.0 104.48 172.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -150.25 171.01 17.64 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 121.983 -0.716 . . . . 25.0 110.344 -174.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.99 168.59 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.559 -1.2 . . . . 25.0 108.569 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -125.37 -174.04 2.97 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 104.864 -2.272 . . . . 25.0 104.864 173.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -54.13 -49.03 70.12 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.606 0.965 . . . . 25.0 113.606 177.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.574 ' HB2' HG11 ' A' ' 83' ' ' VAL . 63.5 tt0 -55.27 -44.15 75.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.138 0.426 . . . . 25.0 111.026 -177.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.51 -49.02 67.93 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 122.341 1.067 . . . . 25.0 108.649 -175.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -38.83 83.23 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.565 -1.198 . . . . 25.0 111.117 -174.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 92.9 t -72.36 -36.26 54.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.75 -0.38 . . . . 25.0 110.857 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.45 HG22 HG22 ' A' ' 76' ' ' VAL . 53.8 t -61.8 -43.12 96.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 177.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.7 mt -68.53 -37.96 80.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.085 0.469 . . . . 25.0 110.686 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 10.3 t -62.55 -45.07 99.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.484 -0.561 . . . . 25.0 109.484 176.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.94 84.82 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.062 -0.399 . . . . 25.0 110.812 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.34 96.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.065 0.459 . . . . 25.0 110.409 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.44 -37.28 82.75 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 89.9 m -60.13 -46.8 88.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.196 -0.456 . . . . 25.0 110.981 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.451 HG11 ' HB2' ' A' ' 72' ' ' GLN . 26.8 m -71.55 -28.64 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 119.195 0.907 . . . . 25.0 111.965 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.18 -22.8 64.81 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.326 0.584 . . . . 25.0 110.845 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' SNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.434 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 76.5 m-20 -104.85 -11.54 16.7 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 127.801 2.44 . . . . 25.0 113.847 -174.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -41.82 -21.62 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 117.377 2.362 . . . . 25.0 117.377 -168.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -55.16 -16.15 2.87 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.645 0.778 . . . . 25.0 112.315 172.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -58.12 -29.85 65.83 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 122.818 0.447 . . . . 25.0 111.443 172.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -118.68 -6.63 10.63 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 116.697 2.11 . . . . 25.0 116.697 -171.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -160.5 157.55 27.72 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 105.479 -2.045 . . . . 25.0 105.479 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -71.76 101.35 2.56 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 123.572 0.749 . . . . 25.0 109.434 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 64.0 m . . . . . 0 C--O 1.244 0.802 0 CA-C-O 118.152 -0.928 . . . . 25.0 110.997 -178.804 . . . . . . . . 0 0 . 1 stop_ save_